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_dominio3_RNAco-35d4ec87/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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_dominio3_RNAco-35d4ec87/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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_dominio3_RNAco-35d4ec87/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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_dominio3_RNAco-35d4ec87/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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_dominio3_RNAco-35d4ec87/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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_dominio3_RNAco-35d4ec87/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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_dominio3_RNAco-35d4ec87/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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_dominio3_RNAco-35d4ec87/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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_dominio3_RNAco-35d4ec87/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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_dominio3_RNAco-35d4ec87/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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: -976.163726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.163726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.163726 (E_RNA)
where:
Base-Base interactions energy: -682.616
where: short stacking energy: -283.885
Base-Backbone interact. energy: -0.388
local terms energy: -293.159845
where:
bonds (distance) C4'-P energy: -46.380
bonds (distance) P-C4' energy: -70.039
flat angles C4'-P-C4' energy: -59.260
flat angles P-C4'-P energy: -41.763
tors. eta vs tors. theta energy: -75.718
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -976.163726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.163726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.163726 (E_RNA)
where:
Base-Base interactions energy: -682.616
where: short stacking energy: -283.885
Base-Backbone interact. energy: -0.388
local terms energy: -293.159845
where:
bonds (distance) C4'-P energy: -46.380
bonds (distance) P-C4' energy: -70.039
flat angles C4'-P-C4' energy: -59.260
flat angles P-C4'-P energy: -41.763
tors. eta vs tors. theta energy: -75.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -976.163726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.163726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.163726 (E_RNA)
where:
Base-Base interactions energy: -682.616
where: short stacking energy: -283.885
Base-Backbone interact. energy: -0.388
local terms energy: -293.159845
where:
bonds (distance) C4'-P energy: -46.380
bonds (distance) P-C4' energy: -70.039
flat angles C4'-P-C4' energy: -59.260
flat angles P-C4'-P energy: -41.763
tors. eta vs tors. theta energy: -75.718
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -976.163726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.163726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.163726 (E_RNA)
where:
Base-Base interactions energy: -682.616
where: short stacking energy: -283.885
Base-Backbone interact. energy: -0.388
local terms energy: -293.159845
where:
bonds (distance) C4'-P energy: -46.380
bonds (distance) P-C4' energy: -70.039
flat angles C4'-P-C4' energy: -59.260
flat angles P-C4'-P energy: -41.763
tors. eta vs tors. theta energy: -75.718
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -976.163726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.163726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.163726 (E_RNA)
where:
Base-Base interactions energy: -682.616
where: short stacking energy: -283.885
Base-Backbone interact. energy: -0.388
local terms energy: -293.159845
where:
bonds (distance) C4'-P energy: -46.380
bonds (distance) P-C4' energy: -70.039
flat angles C4'-P-C4' energy: -59.260
flat angles P-C4'-P energy: -41.763
tors. eta vs tors. theta energy: -75.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -976.163726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.163726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.163726 (E_RNA)
where:
Base-Base interactions energy: -682.616
where: short stacking energy: -283.885
Base-Backbone interact. energy: -0.388
local terms energy: -293.159845
where:
bonds (distance) C4'-P energy: -46.380
bonds (distance) P-C4' energy: -70.039
flat angles C4'-P-C4' energy: -59.260
flat angles P-C4'-P energy: -41.763
tors. eta vs tors. theta energy: -75.718
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -976.163726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.163726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.163726 (E_RNA)
where:
Base-Base interactions energy: -682.616
where: short stacking energy: -283.885
Base-Backbone interact. energy: -0.388
local terms energy: -293.159845
where:
bonds (distance) C4'-P energy: -46.380
bonds (distance) P-C4' energy: -70.039
flat angles C4'-P-C4' energy: -59.260
flat angles P-C4'-P energy: -41.763
tors. eta vs tors. theta energy: -75.718
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -976.163726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.163726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.163726 (E_RNA)
where:
Base-Base interactions energy: -682.616
where: short stacking energy: -283.885
Base-Backbone interact. energy: -0.388
local terms energy: -293.159845
where:
bonds (distance) C4'-P energy: -46.380
bonds (distance) P-C4' energy: -70.039
flat angles C4'-P-C4' energy: -59.260
flat angles P-C4'-P energy: -41.763
tors. eta vs tors. theta energy: -75.718
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: 1
Temperature: 1.300000
Total energy: -976.163726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.163726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.163726 (E_RNA)
where:
Base-Base interactions energy: -682.616
where: short stacking energy: -283.885
Base-Backbone interact. energy: -0.388
local terms energy: -293.159845
where:
bonds (distance) C4'-P energy: -46.380
bonds (distance) P-C4' energy: -70.039
flat angles C4'-P-C4' energy: -59.260
flat angles P-C4'-P energy: -41.763
tors. eta vs tors. theta energy: -75.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -976.163726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.163726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.163726 (E_RNA)
where:
Base-Base interactions energy: -682.616
where: short stacking energy: -283.885
Base-Backbone interact. energy: -0.388
local terms energy: -293.159845
where:
bonds (distance) C4'-P energy: -46.380
bonds (distance) P-C4' energy: -70.039
flat angles C4'-P-C4' energy: -59.260
flat angles P-C4'-P energy: -41.763
tors. eta vs tors. theta energy: -75.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -981.878343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.878343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.878343 (E_RNA)
where:
Base-Base interactions energy: -689.825
where: short stacking energy: -284.672
Base-Backbone interact. energy: -0.388
local terms energy: -291.665951
where:
bonds (distance) C4'-P energy: -48.922
bonds (distance) P-C4' energy: -67.304
flat angles C4'-P-C4' energy: -58.260
flat angles P-C4'-P energy: -41.436
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -982.296074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.296074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.296074 (E_RNA)
where:
Base-Base interactions energy: -690.687
where: short stacking energy: -286.211
Base-Backbone interact. energy: -0.388
local terms energy: -291.220538
where:
bonds (distance) C4'-P energy: -46.186
bonds (distance) P-C4' energy: -69.352
flat angles C4'-P-C4' energy: -58.477
flat angles P-C4'-P energy: -41.531
tors. eta vs tors. theta energy: -75.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -982.370187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.370187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.370187 (E_RNA)
where:
Base-Base interactions energy: -690.039
where: short stacking energy: -285.506
Base-Backbone interact. energy: -0.387
local terms energy: -291.943497
where:
bonds (distance) C4'-P energy: -48.814
bonds (distance) P-C4' energy: -67.320
flat angles C4'-P-C4' energy: -58.523
flat angles P-C4'-P energy: -41.441
tors. eta vs tors. theta energy: -75.845
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: 2
Temperature: 1.050000
Total energy: -983.240444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.240444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.240444 (E_RNA)
where:
Base-Base interactions energy: -691.767
where: short stacking energy: -285.342
Base-Backbone interact. energy: -0.387
local terms energy: -291.086000
where:
bonds (distance) C4'-P energy: -48.922
bonds (distance) P-C4' energy: -66.637
flat angles C4'-P-C4' energy: -58.260
flat angles P-C4'-P energy: -41.459
tors. eta vs tors. theta energy: -75.809
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: 2
Temperature: 1.100000
Total energy: -981.977171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.977171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.977171 (E_RNA)
where:
Base-Base interactions energy: -690.620
where: short stacking energy: -285.346
Base-Backbone interact. energy: -0.387
local terms energy: -290.970075
where:
bonds (distance) C4'-P energy: -48.806
bonds (distance) P-C4' energy: -66.637
flat angles C4'-P-C4' energy: -58.260
flat angles P-C4'-P energy: -41.459
tors. eta vs tors. theta energy: -75.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -981.080449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.080449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.080449 (E_RNA)
where:
Base-Base interactions energy: -689.839
where: short stacking energy: -284.285
Base-Backbone interact. energy: -0.387
local terms energy: -290.854150
where:
bonds (distance) C4'-P energy: -48.690
bonds (distance) P-C4' energy: -66.637
flat angles C4'-P-C4' energy: -58.260
flat angles P-C4'-P energy: -41.459
tors. eta vs tors. theta energy: -75.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -980.736775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.736775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.736775 (E_RNA)
where:
Base-Base interactions energy: -688.358
where: short stacking energy: -284.195
Base-Backbone interact. energy: -0.387
local terms energy: -291.991869
where:
bonds (distance) C4'-P energy: -48.698
bonds (distance) P-C4' energy: -67.320
flat angles C4'-P-C4' energy: -58.523
flat angles P-C4'-P energy: -41.606
tors. eta vs tors. theta energy: -75.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -980.264458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.264458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.264458 (E_RNA)
where:
Base-Base interactions energy: -688.374
where: short stacking energy: -284.198
Base-Backbone interact. energy: -0.387
local terms energy: -291.503100
where:
bonds (distance) C4'-P energy: -48.698
bonds (distance) P-C4' energy: -66.831
flat angles C4'-P-C4' energy: -58.523
flat angles P-C4'-P energy: -41.606
tors. eta vs tors. theta energy: -75.845
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -980.869272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.869272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.869272 (E_RNA)
where:
Base-Base interactions energy: -688.724
where: short stacking energy: -284.548
Base-Backbone interact. energy: -0.387
local terms energy: -291.757500
where:
bonds (distance) C4'-P energy: -48.698
bonds (distance) P-C4' energy: -66.831
flat angles C4'-P-C4' energy: -58.523
flat angles P-C4'-P energy: -41.556
tors. eta vs tors. theta energy: -76.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -985.043070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.043070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.043070 (E_RNA)
where:
Base-Base interactions energy: -693.408
where: short stacking energy: -287.777
Base-Backbone interact. energy: -0.387
local terms energy: -291.247499
where:
bonds (distance) C4'-P energy: -47.448
bonds (distance) P-C4' energy: -68.736
flat angles C4'-P-C4' energy: -58.295
flat angles P-C4'-P energy: -40.930
tors. eta vs tors. theta energy: -75.840
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -944.064583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.064583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.064583 (E_RNA)
where:
Base-Base interactions energy: -651.331
where: short stacking energy: -283.057
Base-Backbone interact. energy: -0.916
local terms energy: -291.818109
where:
bonds (distance) C4'-P energy: -58.171
bonds (distance) P-C4' energy: -55.211
flat angles C4'-P-C4' energy: -52.310
flat angles P-C4'-P energy: -48.344
tors. eta vs tors. theta energy: -77.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -940.134880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.134880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.134880 (E_RNA)
where:
Base-Base interactions energy: -654.580
where: short stacking energy: -257.839
Base-Backbone interact. energy: -1.209
local terms energy: -284.345156
where:
bonds (distance) C4'-P energy: -51.617
bonds (distance) P-C4' energy: -52.134
flat angles C4'-P-C4' energy: -60.867
flat angles P-C4'-P energy: -35.126
tors. eta vs tors. theta energy: -84.601
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: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -918.744587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.744587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.744587 (E_RNA)
where:
Base-Base interactions energy: -645.122
where: short stacking energy: -247.733
Base-Backbone interact. energy: 0.029
local terms energy: -273.651825
where:
bonds (distance) C4'-P energy: -51.375
bonds (distance) P-C4' energy: -53.996
flat angles C4'-P-C4' energy: -59.964
flat angles P-C4'-P energy: -31.853
tors. eta vs tors. theta energy: -76.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -865.908785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.908785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.908785 (E_RNA)
where:
Base-Base interactions energy: -609.599
where: short stacking energy: -232.620
Base-Backbone interact. energy: -0.508
local terms energy: -255.801472
where:
bonds (distance) C4'-P energy: -53.281
bonds (distance) P-C4' energy: -45.688
flat angles C4'-P-C4' energy: -57.231
flat angles P-C4'-P energy: -31.312
tors. eta vs tors. theta energy: -68.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -829.076802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.076802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.076802 (E_RNA)
where:
Base-Base interactions energy: -583.646
where: short stacking energy: -219.794
Base-Backbone interact. energy: 0.189
local terms energy: -245.619918
where:
bonds (distance) C4'-P energy: -32.186
bonds (distance) P-C4' energy: -55.433
flat angles C4'-P-C4' energy: -56.713
flat angles P-C4'-P energy: -35.112
tors. eta vs tors. theta energy: -66.175
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: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -818.885306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.885306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.885306 (E_RNA)
where:
Base-Base interactions energy: -567.540
where: short stacking energy: -221.452
Base-Backbone interact. energy: -2.372
local terms energy: -248.974070
where:
bonds (distance) C4'-P energy: -33.560
bonds (distance) P-C4' energy: -58.041
flat angles C4'-P-C4' energy: -48.289
flat angles P-C4'-P energy: -35.702
tors. eta vs tors. theta energy: -73.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -773.524832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.524832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.524832 (E_RNA)
where:
Base-Base interactions energy: -533.517
where: short stacking energy: -209.102
Base-Backbone interact. energy: -2.695
local terms energy: -237.312741
where:
bonds (distance) C4'-P energy: -48.032
bonds (distance) P-C4' energy: -48.336
flat angles C4'-P-C4' energy: -50.307
flat angles P-C4'-P energy: -34.189
tors. eta vs tors. theta energy: -56.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -681.437788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.437788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.437788 (E_RNA)
where:
Base-Base interactions energy: -457.904
where: short stacking energy: -189.730
Base-Backbone interact. energy: -1.229
local terms energy: -222.304519
where:
bonds (distance) C4'-P energy: -43.337
bonds (distance) P-C4' energy: -44.928
flat angles C4'-P-C4' energy: -52.013
flat angles P-C4'-P energy: -33.676
tors. eta vs tors. theta energy: -48.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -635.810710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.810710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.810710 (E_RNA)
where:
Base-Base interactions energy: -427.807
where: short stacking energy: -172.089
Base-Backbone interact. energy: -0.609
local terms energy: -207.394383
where:
bonds (distance) C4'-P energy: -43.461
bonds (distance) P-C4' energy: -47.874
flat angles C4'-P-C4' energy: -38.424
flat angles P-C4'-P energy: -26.348
tors. eta vs tors. theta energy: -51.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -620.648665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.648665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.648665 (E_RNA)
where:
Base-Base interactions energy: -419.399
where: short stacking energy: -178.321
Base-Backbone interact. energy: 0.399
local terms energy: -201.648817
where:
bonds (distance) C4'-P energy: -39.766
bonds (distance) P-C4' energy: -45.270
flat angles C4'-P-C4' energy: -38.900
flat angles P-C4'-P energy: -27.260
tors. eta vs tors. theta energy: -50.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -964.266105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.266105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.266105 (E_RNA)
where:
Base-Base interactions energy: -673.951
where: short stacking energy: -279.614
Base-Backbone interact. energy: -1.702
local terms energy: -288.613350
where:
bonds (distance) C4'-P energy: -47.897
bonds (distance) P-C4' energy: -51.886
flat angles C4'-P-C4' energy: -58.474
flat angles P-C4'-P energy: -44.327
tors. eta vs tors. theta energy: -86.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -918.819778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.819778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.819778 (E_RNA)
where:
Base-Base interactions energy: -624.608
where: short stacking energy: -265.317
Base-Backbone interact. energy: -0.732
local terms energy: -293.479559
where:
bonds (distance) C4'-P energy: -49.448
bonds (distance) P-C4' energy: -55.721
flat angles C4'-P-C4' energy: -63.287
flat angles P-C4'-P energy: -43.602
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: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -929.633971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.633971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.633971 (E_RNA)
where:
Base-Base interactions energy: -645.954
where: short stacking energy: -245.768
Base-Backbone interact. energy: -2.354
local terms energy: -281.326293
where:
bonds (distance) C4'-P energy: -44.681
bonds (distance) P-C4' energy: -52.323
flat angles C4'-P-C4' energy: -61.322
flat angles P-C4'-P energy: -47.033
tors. eta vs tors. theta energy: -75.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -892.287276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.287276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.287276 (E_RNA)
where:
Base-Base interactions energy: -631.124
where: short stacking energy: -271.171
Base-Backbone interact. energy: -0.928
local terms energy: -260.234639
where:
bonds (distance) C4'-P energy: -37.559
bonds (distance) P-C4' energy: -48.555
flat angles C4'-P-C4' energy: -60.209
flat angles P-C4'-P energy: -40.815
tors. eta vs tors. theta energy: -73.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -837.961375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.961375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.961375 (E_RNA)
where:
Base-Base interactions energy: -589.931
where: short stacking energy: -232.820
Base-Backbone interact. energy: -0.480
local terms energy: -247.549887
where:
bonds (distance) C4'-P energy: -39.244
bonds (distance) P-C4' energy: -47.932
flat angles C4'-P-C4' energy: -51.937
flat angles P-C4'-P energy: -36.242
tors. eta vs tors. theta energy: -72.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -804.142584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.142584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.142584 (E_RNA)
where:
Base-Base interactions energy: -562.535
where: short stacking energy: -228.874
Base-Backbone interact. energy: -1.897
local terms energy: -239.710153
where:
bonds (distance) C4'-P energy: -52.635
bonds (distance) P-C4' energy: -39.415
flat angles C4'-P-C4' energy: -43.930
flat angles P-C4'-P energy: -37.135
tors. eta vs tors. theta energy: -66.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -743.277784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.277784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.277784 (E_RNA)
where:
Base-Base interactions energy: -518.978
where: short stacking energy: -209.597
Base-Backbone interact. energy: 0.831
local terms energy: -225.130638
where:
bonds (distance) C4'-P energy: -39.761
bonds (distance) P-C4' energy: -57.444
flat angles C4'-P-C4' energy: -45.371
flat angles P-C4'-P energy: -26.921
tors. eta vs tors. theta energy: -55.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -662.622010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.622010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.622010 (E_RNA)
where:
Base-Base interactions energy: -452.235
where: short stacking energy: -179.673
Base-Backbone interact. energy: -1.872
local terms energy: -208.514617
where:
bonds (distance) C4'-P energy: -48.032
bonds (distance) P-C4' energy: -41.535
flat angles C4'-P-C4' energy: -36.174
flat angles P-C4'-P energy: -31.562
tors. eta vs tors. theta energy: -51.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -596.765782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.765782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.765782 (E_RNA)
where:
Base-Base interactions energy: -397.748
where: short stacking energy: -162.618
Base-Backbone interact. energy: 0.248
local terms energy: -199.266026
where:
bonds (distance) C4'-P energy: -41.521
bonds (distance) P-C4' energy: -31.836
flat angles C4'-P-C4' energy: -38.500
flat angles P-C4'-P energy: -34.577
tors. eta vs tors. theta energy: -52.832
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: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -582.639666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.639666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.639666 (E_RNA)
where:
Base-Base interactions energy: -379.862
where: short stacking energy: -174.436
Base-Backbone interact. energy: -3.614
local terms energy: -199.163330
where:
bonds (distance) C4'-P energy: -46.069
bonds (distance) P-C4' energy: -38.374
flat angles C4'-P-C4' energy: -47.085
flat angles P-C4'-P energy: -22.074
tors. eta vs tors. theta energy: -45.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -943.555035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.555035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.555035 (E_RNA)
where:
Base-Base interactions energy: -650.150
where: short stacking energy: -266.073
Base-Backbone interact. energy: -1.181
local terms energy: -292.223902
where:
bonds (distance) C4'-P energy: -59.304
bonds (distance) P-C4' energy: -55.333
flat angles C4'-P-C4' energy: -55.406
flat angles P-C4'-P energy: -42.458
tors. eta vs tors. theta energy: -79.723
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: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -935.727223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.727223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.727223 (E_RNA)
where:
Base-Base interactions energy: -668.971
where: short stacking energy: -263.194
Base-Backbone interact. energy: -1.043
local terms energy: -265.713289
where:
bonds (distance) C4'-P energy: -51.238
bonds (distance) P-C4' energy: -50.307
flat angles C4'-P-C4' energy: -49.514
flat angles P-C4'-P energy: -39.123
tors. eta vs tors. theta energy: -75.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -889.190453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.190453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.190453 (E_RNA)
where:
Base-Base interactions energy: -615.629
where: short stacking energy: -242.303
Base-Backbone interact. energy: -2.105
local terms energy: -271.456532
where:
bonds (distance) C4'-P energy: -56.444
bonds (distance) P-C4' energy: -50.510
flat angles C4'-P-C4' energy: -57.954
flat angles P-C4'-P energy: -37.117
tors. eta vs tors. theta energy: -69.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -847.056231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.056231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.056231 (E_RNA)
where:
Base-Base interactions energy: -607.874
where: short stacking energy: -244.497
Base-Backbone interact. energy: -2.192
local terms energy: -236.989979
where:
bonds (distance) C4'-P energy: -43.454
bonds (distance) P-C4' energy: -42.458
flat angles C4'-P-C4' energy: -48.403
flat angles P-C4'-P energy: -32.685
tors. eta vs tors. theta energy: -69.990
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: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -831.755137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.755137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.755137 (E_RNA)
where:
Base-Base interactions energy: -584.041
where: short stacking energy: -234.913
Base-Backbone interact. energy: -1.105
local terms energy: -246.608565
where:
bonds (distance) C4'-P energy: -45.515
bonds (distance) P-C4' energy: -40.146
flat angles C4'-P-C4' energy: -56.215
flat angles P-C4'-P energy: -39.327
tors. eta vs tors. theta energy: -65.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -777.778111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.778111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.778111 (E_RNA)
where:
Base-Base interactions energy: -531.691
where: short stacking energy: -217.113
Base-Backbone interact. energy: 0.757
local terms energy: -246.843890
where:
bonds (distance) C4'-P energy: -50.884
bonds (distance) P-C4' energy: -48.807
flat angles C4'-P-C4' energy: -47.621
flat angles P-C4'-P energy: -37.773
tors. eta vs tors. theta energy: -61.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -736.556202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.556202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.556202 (E_RNA)
where:
Base-Base interactions energy: -503.207
where: short stacking energy: -204.545
Base-Backbone interact. energy: -1.923
local terms energy: -231.425826
where:
bonds (distance) C4'-P energy: -43.311
bonds (distance) P-C4' energy: -55.888
flat angles C4'-P-C4' energy: -41.200
flat angles P-C4'-P energy: -31.783
tors. eta vs tors. theta energy: -59.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -670.741070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.741070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.741070 (E_RNA)
where:
Base-Base interactions energy: -446.917
where: short stacking energy: -177.061
Base-Backbone interact. energy: -1.664
local terms energy: -222.159517
where:
bonds (distance) C4'-P energy: -43.202
bonds (distance) P-C4' energy: -46.883
flat angles C4'-P-C4' energy: -51.804
flat angles P-C4'-P energy: -26.943
tors. eta vs tors. theta energy: -53.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -604.884098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.884098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.884098 (E_RNA)
where:
Base-Base interactions energy: -400.085
where: short stacking energy: -178.100
Base-Backbone interact. energy: -2.039
local terms energy: -202.759364
where:
bonds (distance) C4'-P energy: -42.201
bonds (distance) P-C4' energy: -46.532
flat angles C4'-P-C4' energy: -33.952
flat angles P-C4'-P energy: -36.782
tors. eta vs tors. theta energy: -43.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -525.424744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.424744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.424744 (E_RNA)
where:
Base-Base interactions energy: -338.672
where: short stacking energy: -144.859
Base-Backbone interact. energy: 1.766
local terms energy: -188.518463
where:
bonds (distance) C4'-P energy: -36.922
bonds (distance) P-C4' energy: -40.464
flat angles C4'-P-C4' energy: -52.253
flat angles P-C4'-P energy: -25.222
tors. eta vs tors. theta energy: -33.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -941.585750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.585750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.585750 (E_RNA)
where:
Base-Base interactions energy: -665.244
where: short stacking energy: -242.343
Base-Backbone interact. energy: -3.034
local terms energy: -273.308204
where:
bonds (distance) C4'-P energy: -54.334
bonds (distance) P-C4' energy: -48.777
flat angles C4'-P-C4' energy: -56.917
flat angles P-C4'-P energy: -40.793
tors. eta vs tors. theta energy: -72.487
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: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -913.483357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.483357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.483357 (E_RNA)
where:
Base-Base interactions energy: -637.332
where: short stacking energy: -251.485
Base-Backbone interact. energy: 0.697
local terms energy: -276.849012
where:
bonds (distance) C4'-P energy: -43.073
bonds (distance) P-C4' energy: -57.245
flat angles C4'-P-C4' energy: -60.907
flat angles P-C4'-P energy: -38.431
tors. eta vs tors. theta energy: -77.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -891.697311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.697311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.697311 (E_RNA)
where:
Base-Base interactions energy: -620.261
where: short stacking energy: -250.463
Base-Backbone interact. energy: -0.960
local terms energy: -270.475662
where:
bonds (distance) C4'-P energy: -50.102
bonds (distance) P-C4' energy: -54.937
flat angles C4'-P-C4' energy: -62.806
flat angles P-C4'-P energy: -32.708
tors. eta vs tors. theta energy: -69.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -881.520145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.520145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.520145 (E_RNA)
where:
Base-Base interactions energy: -607.508
where: short stacking energy: -245.444
Base-Backbone interact. energy: -0.929
local terms energy: -273.083041
where:
bonds (distance) C4'-P energy: -54.104
bonds (distance) P-C4' energy: -46.112
flat angles C4'-P-C4' energy: -55.291
flat angles P-C4'-P energy: -46.190
tors. eta vs tors. theta energy: -71.386
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: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -829.708429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.708429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.708429 (E_RNA)
where:
Base-Base interactions energy: -577.530
where: short stacking energy: -244.227
Base-Backbone interact. energy: -3.721
local terms energy: -248.457568
where:
bonds (distance) C4'-P energy: -49.038
bonds (distance) P-C4' energy: -45.383
flat angles C4'-P-C4' energy: -54.585
flat angles P-C4'-P energy: -30.702
tors. eta vs tors. theta energy: -68.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -796.381144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.381144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.381144 (E_RNA)
where:
Base-Base interactions energy: -555.865
where: short stacking energy: -223.687
Base-Backbone interact. energy: -0.861
local terms energy: -239.655113
where:
bonds (distance) C4'-P energy: -37.481
bonds (distance) P-C4' energy: -44.753
flat angles C4'-P-C4' energy: -58.788
flat angles P-C4'-P energy: -29.084
tors. eta vs tors. theta energy: -69.548
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: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -699.150317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.150317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.150317 (E_RNA)
where:
Base-Base interactions energy: -483.263
where: short stacking energy: -203.951
Base-Backbone interact. energy: -0.763
local terms energy: -215.124012
where:
bonds (distance) C4'-P energy: -27.302
bonds (distance) P-C4' energy: -48.314
flat angles C4'-P-C4' energy: -48.051
flat angles P-C4'-P energy: -30.594
tors. eta vs tors. theta energy: -60.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -710.104929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.104929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.104929 (E_RNA)
where:
Base-Base interactions energy: -477.325
where: short stacking energy: -194.067
Base-Backbone interact. energy: -0.316
local terms energy: -232.463911
where:
bonds (distance) C4'-P energy: -46.148
bonds (distance) P-C4' energy: -46.048
flat angles C4'-P-C4' energy: -46.333
flat angles P-C4'-P energy: -35.335
tors. eta vs tors. theta energy: -58.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -601.404246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.404246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.404246 (E_RNA)
where:
Base-Base interactions energy: -416.340
where: short stacking energy: -185.592
Base-Backbone interact. energy: 0.897
local terms energy: -185.960837
where:
bonds (distance) C4'-P energy: -32.970
bonds (distance) P-C4' energy: -37.303
flat angles C4'-P-C4' energy: -39.508
flat angles P-C4'-P energy: -29.059
tors. eta vs tors. theta energy: -47.121
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: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -477.406235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.406235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.406235 (E_RNA)
where:
Base-Base interactions energy: -322.355
where: short stacking energy: -148.590
Base-Backbone interact. energy: 0.923
local terms energy: -155.974257
where:
bonds (distance) C4'-P energy: -25.539
bonds (distance) P-C4' energy: -37.808
flat angles C4'-P-C4' energy: -44.638
flat angles P-C4'-P energy: -18.536
tors. eta vs tors. theta energy: -29.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -946.505367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.505367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.505367 (E_RNA)
where:
Base-Base interactions energy: -652.608
where: short stacking energy: -246.640
Base-Backbone interact. energy: -1.882
local terms energy: -292.014782
where:
bonds (distance) C4'-P energy: -56.112
bonds (distance) P-C4' energy: -61.625
flat angles C4'-P-C4' energy: -55.392
flat angles P-C4'-P energy: -43.725
tors. eta vs tors. theta energy: -75.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -934.119964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.119964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.119964 (E_RNA)
where:
Base-Base interactions energy: -639.539
where: short stacking energy: -258.151
Base-Backbone interact. energy: -0.443
local terms energy: -294.138495
where:
bonds (distance) C4'-P energy: -53.918
bonds (distance) P-C4' energy: -50.693
flat angles C4'-P-C4' energy: -61.378
flat angles P-C4'-P energy: -45.920
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: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -898.319355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.319355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.319355 (E_RNA)
where:
Base-Base interactions energy: -626.927
where: short stacking energy: -244.987
Base-Backbone interact. energy: -1.778
local terms energy: -269.613949
where:
bonds (distance) C4'-P energy: -49.619
bonds (distance) P-C4' energy: -49.660
flat angles C4'-P-C4' energy: -55.905
flat angles P-C4'-P energy: -37.774
tors. eta vs tors. theta energy: -76.656
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: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -881.796086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.796086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.796086 (E_RNA)
where:
Base-Base interactions energy: -616.896
where: short stacking energy: -248.661
Base-Backbone interact. energy: 2.703
local terms energy: -267.603472
where:
bonds (distance) C4'-P energy: -55.762
bonds (distance) P-C4' energy: -48.187
flat angles C4'-P-C4' energy: -53.733
flat angles P-C4'-P energy: -36.306
tors. eta vs tors. theta energy: -73.615
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: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -835.038723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.038723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.038723 (E_RNA)
where:
Base-Base interactions energy: -569.184
where: short stacking energy: -228.322
Base-Backbone interact. energy: 1.472
local terms energy: -267.326859
where:
bonds (distance) C4'-P energy: -48.028
bonds (distance) P-C4' energy: -52.108
flat angles C4'-P-C4' energy: -55.664
flat angles P-C4'-P energy: -44.542
tors. eta vs tors. theta energy: -66.985
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: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -797.649027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.649027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.649027 (E_RNA)
where:
Base-Base interactions energy: -559.211
where: short stacking energy: -225.371
Base-Backbone interact. energy: 0.368
local terms energy: -238.805891
where:
bonds (distance) C4'-P energy: -40.105
bonds (distance) P-C4' energy: -46.850
flat angles C4'-P-C4' energy: -53.022
flat angles P-C4'-P energy: -29.570
tors. eta vs tors. theta energy: -69.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -692.417141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.417141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.417141 (E_RNA)
where:
Base-Base interactions energy: -461.091
where: short stacking energy: -208.581
Base-Backbone interact. energy: -0.177
local terms energy: -231.148735
where:
bonds (distance) C4'-P energy: -44.338
bonds (distance) P-C4' energy: -41.618
flat angles C4'-P-C4' energy: -46.933
flat angles P-C4'-P energy: -40.551
tors. eta vs tors. theta energy: -57.709
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: 7
Temperature: 1.250000
Total energy: -668.849187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.849187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.849187 (E_RNA)
where:
Base-Base interactions energy: -449.623
where: short stacking energy: -171.969
Base-Backbone interact. energy: 2.159
local terms energy: -221.385000
where:
bonds (distance) C4'-P energy: -41.314
bonds (distance) P-C4' energy: -43.314
flat angles C4'-P-C4' energy: -48.768
flat angles P-C4'-P energy: -36.248
tors. eta vs tors. theta energy: -51.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -533.108801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.108801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.108801 (E_RNA)
where:
Base-Base interactions energy: -344.519
where: short stacking energy: -157.248
Base-Backbone interact. energy: -0.522
local terms energy: -188.067925
where:
bonds (distance) C4'-P energy: -35.964
bonds (distance) P-C4' energy: -46.316
flat angles C4'-P-C4' energy: -42.894
flat angles P-C4'-P energy: -32.851
tors. eta vs tors. theta energy: -30.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -458.753339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.753339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.753339 (E_RNA)
where:
Base-Base interactions energy: -281.408
where: short stacking energy: -131.911
Base-Backbone interact. energy: -0.522
local terms energy: -176.823271
where:
bonds (distance) C4'-P energy: -35.982
bonds (distance) P-C4' energy: -39.205
flat angles C4'-P-C4' energy: -36.157
flat angles P-C4'-P energy: -38.249
tors. eta vs tors. theta energy: -27.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -942.200448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.200448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.200448 (E_RNA)
where:
Base-Base interactions energy: -654.167
where: short stacking energy: -268.285
Base-Backbone interact. energy: -2.799
local terms energy: -285.235013
where:
bonds (distance) C4'-P energy: -49.012
bonds (distance) P-C4' energy: -58.159
flat angles C4'-P-C4' energy: -63.461
flat angles P-C4'-P energy: -38.740
tors. eta vs tors. theta energy: -75.864
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: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -920.047387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.047387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.047387 (E_RNA)
where:
Base-Base interactions energy: -644.791
where: short stacking energy: -257.909
Base-Backbone interact. energy: -2.034
local terms energy: -273.223078
where:
bonds (distance) C4'-P energy: -51.647
bonds (distance) P-C4' energy: -53.658
flat angles C4'-P-C4' energy: -56.946
flat angles P-C4'-P energy: -41.115
tors. eta vs tors. theta energy: -69.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -913.927566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.927566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.927566 (E_RNA)
where:
Base-Base interactions energy: -638.002
where: short stacking energy: -257.971
Base-Backbone interact. energy: -3.070
local terms energy: -272.855028
where:
bonds (distance) C4'-P energy: -59.401
bonds (distance) P-C4' energy: -45.619
flat angles C4'-P-C4' energy: -63.040
flat angles P-C4'-P energy: -28.931
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: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -882.590604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.590604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.590604 (E_RNA)
where:
Base-Base interactions energy: -619.967
where: short stacking energy: -239.094
Base-Backbone interact. energy: -1.106
local terms energy: -261.517725
where:
bonds (distance) C4'-P energy: -46.401
bonds (distance) P-C4' energy: -46.847
flat angles C4'-P-C4' energy: -53.578
flat angles P-C4'-P energy: -40.297
tors. eta vs tors. theta energy: -74.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -817.584637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.584637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.584637 (E_RNA)
where:
Base-Base interactions energy: -572.634
where: short stacking energy: -224.151
Base-Backbone interact. energy: -1.108
local terms energy: -243.842621
where:
bonds (distance) C4'-P energy: -51.791
bonds (distance) P-C4' energy: -41.298
flat angles C4'-P-C4' energy: -54.516
flat angles P-C4'-P energy: -31.167
tors. eta vs tors. theta energy: -65.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -834.532146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.532146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.532146 (E_RNA)
where:
Base-Base interactions energy: -572.011
where: short stacking energy: -236.139
Base-Backbone interact. energy: -0.669
local terms energy: -261.851550
where:
bonds (distance) C4'-P energy: -50.814
bonds (distance) P-C4' energy: -53.402
flat angles C4'-P-C4' energy: -53.999
flat angles P-C4'-P energy: -27.815
tors. eta vs tors. theta energy: -75.822
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: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -713.470038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.470038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.470038 (E_RNA)
where:
Base-Base interactions energy: -485.129
where: short stacking energy: -217.515
Base-Backbone interact. energy: 3.828
local terms energy: -232.168839
where:
bonds (distance) C4'-P energy: -46.840
bonds (distance) P-C4' energy: -47.174
flat angles C4'-P-C4' energy: -53.022
flat angles P-C4'-P energy: -23.960
tors. eta vs tors. theta energy: -61.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -636.537676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.537676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.537676 (E_RNA)
where:
Base-Base interactions energy: -427.021
where: short stacking energy: -177.629
Base-Backbone interact. energy: 0.714
local terms energy: -210.230465
where:
bonds (distance) C4'-P energy: -46.395
bonds (distance) P-C4' energy: -46.436
flat angles C4'-P-C4' energy: -44.427
flat angles P-C4'-P energy: -21.227
tors. eta vs tors. theta energy: -51.745
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: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -495.455208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.455208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.455208 (E_RNA)
where:
Base-Base interactions energy: -287.046
where: short stacking energy: -155.271
Base-Backbone interact. energy: -0.943
local terms energy: -207.466001
where:
bonds (distance) C4'-P energy: -48.227
bonds (distance) P-C4' energy: -51.701
flat angles C4'-P-C4' energy: -49.827
flat angles P-C4'-P energy: -32.856
tors. eta vs tors. theta energy: -24.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -487.381695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.381695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.381695 (E_RNA)
where:
Base-Base interactions energy: -295.752
where: short stacking energy: -131.827
Base-Backbone interact. energy: -0.240
local terms energy: -191.389567
where:
bonds (distance) C4'-P energy: -49.562
bonds (distance) P-C4' energy: -40.268
flat angles C4'-P-C4' energy: -42.861
flat angles P-C4'-P energy: -27.915
tors. eta vs tors. theta energy: -30.783
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: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -939.984596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.984596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.984596 (E_RNA)
where:
Base-Base interactions energy: -662.571
where: short stacking energy: -264.466
Base-Backbone interact. energy: -2.093
local terms energy: -275.321134
where:
bonds (distance) C4'-P energy: -45.821
bonds (distance) P-C4' energy: -54.609
flat angles C4'-P-C4' energy: -60.567
flat angles P-C4'-P energy: -36.696
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: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -935.828206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.828206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.828206 (E_RNA)
where:
Base-Base interactions energy: -644.857
where: short stacking energy: -266.865
Base-Backbone interact. energy: -2.798
local terms energy: -288.173071
where:
bonds (distance) C4'-P energy: -54.927
bonds (distance) P-C4' energy: -55.693
flat angles C4'-P-C4' energy: -56.563
flat angles P-C4'-P energy: -40.236
tors. eta vs tors. theta energy: -80.754
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: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -902.806217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.806217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.806217 (E_RNA)
where:
Base-Base interactions energy: -626.540
where: short stacking energy: -262.279
Base-Backbone interact. energy: 0.063
local terms energy: -276.329606
where:
bonds (distance) C4'-P energy: -46.454
bonds (distance) P-C4' energy: -55.550
flat angles C4'-P-C4' energy: -60.414
flat angles P-C4'-P energy: -34.264
tors. eta vs tors. theta energy: -79.648
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: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -877.830166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.830166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.830166 (E_RNA)
where:
Base-Base interactions energy: -620.426
where: short stacking energy: -250.851
Base-Backbone interact. energy: 0.692
local terms energy: -258.095593
where:
bonds (distance) C4'-P energy: -49.027
bonds (distance) P-C4' energy: -52.834
flat angles C4'-P-C4' energy: -52.792
flat angles P-C4'-P energy: -31.776
tors. eta vs tors. theta energy: -71.666
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: 9
Temperature: 1.100000
Total energy: -820.549665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.549665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.549665 (E_RNA)
where:
Base-Base interactions energy: -573.667
where: short stacking energy: -228.173
Base-Backbone interact. energy: -1.053
local terms energy: -245.829872
where:
bonds (distance) C4'-P energy: -43.293
bonds (distance) P-C4' energy: -50.365
flat angles C4'-P-C4' energy: -52.880
flat angles P-C4'-P energy: -30.134
tors. eta vs tors. theta energy: -69.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -819.937647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.937647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.937647 (E_RNA)
where:
Base-Base interactions energy: -557.120
where: short stacking energy: -236.484
Base-Backbone interact. energy: -2.150
local terms energy: -260.667954
where:
bonds (distance) C4'-P energy: -50.073
bonds (distance) P-C4' energy: -42.700
flat angles C4'-P-C4' energy: -59.575
flat angles P-C4'-P energy: -34.667
tors. eta vs tors. theta energy: -73.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -713.506617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.506617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.506617 (E_RNA)
where:
Base-Base interactions energy: -468.923
where: short stacking energy: -213.485
Base-Backbone interact. energy: -0.697
local terms energy: -243.887367
where:
bonds (distance) C4'-P energy: -49.943
bonds (distance) P-C4' energy: -47.132
flat angles C4'-P-C4' energy: -53.853
flat angles P-C4'-P energy: -30.692
tors. eta vs tors. theta energy: -62.268
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: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -641.649565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.649565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.649565 (E_RNA)
where:
Base-Base interactions energy: -427.364
where: short stacking energy: -198.544
Base-Backbone interact. energy: 1.337
local terms energy: -215.623082
where:
bonds (distance) C4'-P energy: -48.700
bonds (distance) P-C4' energy: -43.941
flat angles C4'-P-C4' energy: -42.989
flat angles P-C4'-P energy: -30.867
tors. eta vs tors. theta energy: -49.126
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: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -508.357624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.357624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.357624 (E_RNA)
where:
Base-Base interactions energy: -303.709
where: short stacking energy: -141.059
Base-Backbone interact. energy: -1.416
local terms energy: -203.232579
where:
bonds (distance) C4'-P energy: -44.424
bonds (distance) P-C4' energy: -45.901
flat angles C4'-P-C4' energy: -50.451
flat angles P-C4'-P energy: -32.423
tors. eta vs tors. theta energy: -30.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -471.577422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.577422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.577422 (E_RNA)
where:
Base-Base interactions energy: -280.030
where: short stacking energy: -143.237
Base-Backbone interact. energy: -0.114
local terms energy: -191.434102
where:
bonds (distance) C4'-P energy: -43.755
bonds (distance) P-C4' energy: -49.540
flat angles C4'-P-C4' energy: -39.652
flat angles P-C4'-P energy: -28.181
tors. eta vs tors. theta energy: -30.307
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: 10
Temperature: 0.900000
Total energy: -951.612124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.612124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.612124 (E_RNA)
where:
Base-Base interactions energy: -660.942
where: short stacking energy: -270.978
Base-Backbone interact. energy: -2.263
local terms energy: -288.406692
where:
bonds (distance) C4'-P energy: -45.373
bonds (distance) P-C4' energy: -54.950
flat angles C4'-P-C4' energy: -55.446
flat angles P-C4'-P energy: -47.853
tors. eta vs tors. theta energy: -84.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -907.125175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.125175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.125175 (E_RNA)
where:
Base-Base interactions energy: -634.091
where: short stacking energy: -257.194
Base-Backbone interact. energy: -1.326
local terms energy: -271.708950
where:
bonds (distance) C4'-P energy: -53.511
bonds (distance) P-C4' energy: -53.109
flat angles C4'-P-C4' energy: -54.247
flat angles P-C4'-P energy: -38.734
tors. eta vs tors. theta energy: -72.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -915.550422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.550422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.550422 (E_RNA)
where:
Base-Base interactions energy: -646.023
where: short stacking energy: -251.219
Base-Backbone interact. energy: -2.926
local terms energy: -266.601265
where:
bonds (distance) C4'-P energy: -39.169
bonds (distance) P-C4' energy: -59.208
flat angles C4'-P-C4' energy: -57.513
flat angles P-C4'-P energy: -40.129
tors. eta vs tors. theta energy: -70.582
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: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -859.166759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.166759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.166759 (E_RNA)
where:
Base-Base interactions energy: -610.880
where: short stacking energy: -239.853
Base-Backbone interact. energy: -1.127
local terms energy: -247.159506
where:
bonds (distance) C4'-P energy: -43.969
bonds (distance) P-C4' energy: -45.644
flat angles C4'-P-C4' energy: -51.470
flat angles P-C4'-P energy: -33.734
tors. eta vs tors. theta energy: -72.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -810.035673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.035673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.035673 (E_RNA)
where:
Base-Base interactions energy: -573.535
where: short stacking energy: -223.472
Base-Backbone interact. energy: -1.360
local terms energy: -235.140129
where:
bonds (distance) C4'-P energy: -45.690
bonds (distance) P-C4' energy: -47.859
flat angles C4'-P-C4' energy: -43.149
flat angles P-C4'-P energy: -34.673
tors. eta vs tors. theta energy: -63.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -798.708048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.708048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.708048 (E_RNA)
where:
Base-Base interactions energy: -535.853
where: short stacking energy: -225.178
Base-Backbone interact. energy: -3.383
local terms energy: -259.472792
where:
bonds (distance) C4'-P energy: -41.567
bonds (distance) P-C4' energy: -53.477
flat angles C4'-P-C4' energy: -57.482
flat angles P-C4'-P energy: -34.293
tors. eta vs tors. theta energy: -72.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -707.893793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.893793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.893793 (E_RNA)
where:
Base-Base interactions energy: -478.037
where: short stacking energy: -203.718
Base-Backbone interact. energy: 2.430
local terms energy: -232.286891
where:
bonds (distance) C4'-P energy: -38.797
bonds (distance) P-C4' energy: -55.407
flat angles C4'-P-C4' energy: -45.334
flat angles P-C4'-P energy: -36.554
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: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -689.604029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.604029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.604029 (E_RNA)
where:
Base-Base interactions energy: -465.178
where: short stacking energy: -174.751
Base-Backbone interact. energy: 3.402
local terms energy: -227.828351
where:
bonds (distance) C4'-P energy: -52.044
bonds (distance) P-C4' energy: -50.976
flat angles C4'-P-C4' energy: -46.090
flat angles P-C4'-P energy: -35.778
tors. eta vs tors. theta energy: -42.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -481.644519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.644519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.644519 (E_RNA)
where:
Base-Base interactions energy: -286.523
where: short stacking energy: -121.370
Base-Backbone interact. energy: -1.225
local terms energy: -193.897044
where:
bonds (distance) C4'-P energy: -53.286
bonds (distance) P-C4' energy: -53.630
flat angles C4'-P-C4' energy: -47.575
flat angles P-C4'-P energy: -21.342
tors. eta vs tors. theta energy: -18.064
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: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -481.770214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.770214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.770214 (E_RNA)
where:
Base-Base interactions energy: -295.537
where: short stacking energy: -143.394
Base-Backbone interact. energy: 4.332
local terms energy: -190.565198
where:
bonds (distance) C4'-P energy: -41.381
bonds (distance) P-C4' energy: -46.714
flat angles C4'-P-C4' energy: -44.245
flat angles P-C4'-P energy: -30.837
tors. eta vs tors. theta energy: -27.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -948.044103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.044103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.044103 (E_RNA)
where:
Base-Base interactions energy: -667.701
where: short stacking energy: -265.950
Base-Backbone interact. energy: 0.655
local terms energy: -280.998492
where:
bonds (distance) C4'-P energy: -42.955
bonds (distance) P-C4' energy: -52.561
flat angles C4'-P-C4' energy: -65.993
flat angles P-C4'-P energy: -37.829
tors. eta vs tors. theta energy: -81.660
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: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -900.049669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.049669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.049669 (E_RNA)
where:
Base-Base interactions energy: -625.403
where: short stacking energy: -247.050
Base-Backbone interact. energy: 1.997
local terms energy: -276.644008
where:
bonds (distance) C4'-P energy: -50.240
bonds (distance) P-C4' energy: -55.374
flat angles C4'-P-C4' energy: -57.659
flat angles P-C4'-P energy: -45.712
tors. eta vs tors. theta energy: -67.658
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: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -881.294150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.294150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.294150 (E_RNA)
where:
Base-Base interactions energy: -587.953
where: short stacking energy: -246.094
Base-Backbone interact. energy: 0.043
local terms energy: -293.384533
where:
bonds (distance) C4'-P energy: -49.453
bonds (distance) P-C4' energy: -57.498
flat angles C4'-P-C4' energy: -59.976
flat angles P-C4'-P energy: -43.756
tors. eta vs tors. theta energy: -82.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -886.933834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.933834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.933834 (E_RNA)
where:
Base-Base interactions energy: -616.196
where: short stacking energy: -250.716
Base-Backbone interact. energy: -2.635
local terms energy: -268.102735
where:
bonds (distance) C4'-P energy: -43.633
bonds (distance) P-C4' energy: -46.637
flat angles C4'-P-C4' energy: -64.295
flat angles P-C4'-P energy: -38.794
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: 5, replica: 6
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -786.801120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.801120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.801120 (E_RNA)
where:
Base-Base interactions energy: -528.518
where: short stacking energy: -226.405
Base-Backbone interact. energy: -3.290
local terms energy: -254.993787
where:
bonds (distance) C4'-P energy: -41.153
bonds (distance) P-C4' energy: -50.246
flat angles C4'-P-C4' energy: -56.150
flat angles P-C4'-P energy: -37.674
tors. eta vs tors. theta energy: -69.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -761.977135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.977135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.977135 (E_RNA)
where:
Base-Base interactions energy: -528.823
where: short stacking energy: -223.027
Base-Backbone interact. energy: -3.580
local terms energy: -229.574025
where:
bonds (distance) C4'-P energy: -29.637
bonds (distance) P-C4' energy: -46.883
flat angles C4'-P-C4' energy: -54.168
flat angles P-C4'-P energy: -37.595
tors. eta vs tors. theta energy: -61.290
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: 9
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -712.075855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.075855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.075855 (E_RNA)
where:
Base-Base interactions energy: -478.003
where: short stacking energy: -213.895
Base-Backbone interact. energy: -2.029
local terms energy: -232.044034
where:
bonds (distance) C4'-P energy: -38.088
bonds (distance) P-C4' energy: -47.984
flat angles C4'-P-C4' energy: -49.787
flat angles P-C4'-P energy: -31.900
tors. eta vs tors. theta energy: -64.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -669.393458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.393458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.393458 (E_RNA)
where:
Base-Base interactions energy: -434.081
where: short stacking energy: -171.821
Base-Backbone interact. energy: -1.329
local terms energy: -233.982632
where:
bonds (distance) C4'-P energy: -45.826
bonds (distance) P-C4' energy: -54.815
flat angles C4'-P-C4' energy: -54.268
flat angles P-C4'-P energy: -25.859
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: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -479.495922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.495922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.495922 (E_RNA)
where:
Base-Base interactions energy: -281.440
where: short stacking energy: -142.416
Base-Backbone interact. energy: 5.260
local terms energy: -203.316481
where:
bonds (distance) C4'-P energy: -48.263
bonds (distance) P-C4' energy: -45.978
flat angles C4'-P-C4' energy: -52.455
flat angles P-C4'-P energy: -26.862
tors. eta vs tors. theta energy: -29.759
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: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -473.898856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.898856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.898856 (E_RNA)
where:
Base-Base interactions energy: -296.028
where: short stacking energy: -130.735
Base-Backbone interact. energy: -1.064
local terms energy: -176.807566
where:
bonds (distance) C4'-P energy: -43.967
bonds (distance) P-C4' energy: -49.077
flat angles C4'-P-C4' energy: -53.881
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -17.448
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: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -926.677002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.677002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.677002 (E_RNA)
where:
Base-Base interactions energy: -640.363
where: short stacking energy: -261.782
Base-Backbone interact. energy: -1.846
local terms energy: -284.467934
where:
bonds (distance) C4'-P energy: -54.755
bonds (distance) P-C4' energy: -49.411
flat angles C4'-P-C4' energy: -57.037
flat angles P-C4'-P energy: -43.298
tors. eta vs tors. theta energy: -79.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -912.251803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.251803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.251803 (E_RNA)
where:
Base-Base interactions energy: -630.446
where: short stacking energy: -266.778
Base-Backbone interact. energy: -1.870
local terms energy: -279.935590
where:
bonds (distance) C4'-P energy: -54.958
bonds (distance) P-C4' energy: -54.016
flat angles C4'-P-C4' energy: -56.836
flat angles P-C4'-P energy: -38.820
tors. eta vs tors. theta energy: -75.306
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: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -886.006974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.006974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.006974 (E_RNA)
where:
Base-Base interactions energy: -603.117
where: short stacking energy: -241.583
Base-Backbone interact. energy: -1.110
local terms energy: -281.779775
where:
bonds (distance) C4'-P energy: -52.383
bonds (distance) P-C4' energy: -57.779
flat angles C4'-P-C4' energy: -56.204
flat angles P-C4'-P energy: -43.421
tors. eta vs tors. theta energy: -71.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -884.364713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.364713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.364713 (E_RNA)
where:
Base-Base interactions energy: -611.527
where: short stacking energy: -237.931
Base-Backbone interact. energy: -2.634
local terms energy: -270.203911
where:
bonds (distance) C4'-P energy: -61.098
bonds (distance) P-C4' energy: -49.472
flat angles C4'-P-C4' energy: -63.182
flat angles P-C4'-P energy: -29.431
tors. eta vs tors. theta energy: -67.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -790.547775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.547775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.547775 (E_RNA)
where:
Base-Base interactions energy: -525.773
where: short stacking energy: -222.553
Base-Backbone interact. energy: 1.275
local terms energy: -266.050042
where:
bonds (distance) C4'-P energy: -51.173
bonds (distance) P-C4' energy: -38.466
flat angles C4'-P-C4' energy: -63.480
flat angles P-C4'-P energy: -43.634
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: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -782.204189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.204189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.204189 (E_RNA)
where:
Base-Base interactions energy: -553.646
where: short stacking energy: -213.963
Base-Backbone interact. energy: -2.201
local terms energy: -226.357586
where:
bonds (distance) C4'-P energy: -45.857
bonds (distance) P-C4' energy: -41.176
flat angles C4'-P-C4' energy: -58.942
flat angles P-C4'-P energy: -21.380
tors. eta vs tors. theta energy: -59.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -698.505271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.505271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.505271 (E_RNA)
where:
Base-Base interactions energy: -486.634
where: short stacking energy: -204.808
Base-Backbone interact. energy: 5.780
local terms energy: -217.650836
where:
bonds (distance) C4'-P energy: -36.113
bonds (distance) P-C4' energy: -35.404
flat angles C4'-P-C4' energy: -51.249
flat angles P-C4'-P energy: -31.352
tors. eta vs tors. theta energy: -63.533
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: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -657.854644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.854644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.854644 (E_RNA)
where:
Base-Base interactions energy: -433.381
where: short stacking energy: -188.573
Base-Backbone interact. energy: 2.322
local terms energy: -226.795659
where:
bonds (distance) C4'-P energy: -46.023
bonds (distance) P-C4' energy: -55.115
flat angles C4'-P-C4' energy: -34.409
flat angles P-C4'-P energy: -35.856
tors. eta vs tors. theta energy: -55.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -466.361076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.361076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.361076 (E_RNA)
where:
Base-Base interactions energy: -287.772
where: short stacking energy: -132.949
Base-Backbone interact. energy: 1.076
local terms energy: -179.665770
where:
bonds (distance) C4'-P energy: -39.631
bonds (distance) P-C4' energy: -53.771
flat angles C4'-P-C4' energy: -38.611
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -26.274
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: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -386.213936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.213936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.213936 (E_RNA)
where:
Base-Base interactions energy: -207.643
where: short stacking energy: -106.959
Base-Backbone interact. energy: -0.069
local terms energy: -178.502152
where:
bonds (distance) C4'-P energy: -50.002
bonds (distance) P-C4' energy: -49.290
flat angles C4'-P-C4' energy: -44.065
flat angles P-C4'-P energy: -24.310
tors. eta vs tors. theta energy: -10.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -946.104854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.104854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.104854 (E_RNA)
where:
Base-Base interactions energy: -658.290
where: short stacking energy: -266.995
Base-Backbone interact. energy: -0.743
local terms energy: -287.071988
where:
bonds (distance) C4'-P energy: -57.825
bonds (distance) P-C4' energy: -55.460
flat angles C4'-P-C4' energy: -58.247
flat angles P-C4'-P energy: -38.342
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: 2, replica: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -922.393993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.393993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.393993 (E_RNA)
where:
Base-Base interactions energy: -644.826
where: short stacking energy: -254.844
Base-Backbone interact. energy: -1.347
local terms energy: -276.221326
where:
bonds (distance) C4'-P energy: -58.208
bonds (distance) P-C4' energy: -52.526
flat angles C4'-P-C4' energy: -54.718
flat angles P-C4'-P energy: -34.519
tors. eta vs tors. theta energy: -76.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -894.989471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.989471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.989471 (E_RNA)
where:
Base-Base interactions energy: -633.342
where: short stacking energy: -255.696
Base-Backbone interact. energy: -0.761
local terms energy: -260.887080
where:
bonds (distance) C4'-P energy: -51.277
bonds (distance) P-C4' energy: -41.145
flat angles C4'-P-C4' energy: -54.020
flat angles P-C4'-P energy: -43.006
tors. eta vs tors. theta energy: -71.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -888.827494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.827494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.827494 (E_RNA)
where:
Base-Base interactions energy: -625.550
where: short stacking energy: -246.464
Base-Backbone interact. energy: -2.802
local terms energy: -260.475834
where:
bonds (distance) C4'-P energy: -44.114
bonds (distance) P-C4' energy: -42.545
flat angles C4'-P-C4' energy: -61.800
flat angles P-C4'-P energy: -37.143
tors. eta vs tors. theta energy: -74.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -809.083384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.083384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.083384 (E_RNA)
where:
Base-Base interactions energy: -544.807
where: short stacking energy: -238.085
Base-Backbone interact. energy: -1.796
local terms energy: -262.480098
where:
bonds (distance) C4'-P energy: -44.364
bonds (distance) P-C4' energy: -53.811
flat angles C4'-P-C4' energy: -60.801
flat angles P-C4'-P energy: -29.809
tors. eta vs tors. theta energy: -73.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -746.247914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.247914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.247914 (E_RNA)
where:
Base-Base interactions energy: -492.320
where: short stacking energy: -195.773
Base-Backbone interact. energy: -1.703
local terms energy: -252.224800
where:
bonds (distance) C4'-P energy: -42.972
bonds (distance) P-C4' energy: -58.348
flat angles C4'-P-C4' energy: -57.287
flat angles P-C4'-P energy: -41.828
tors. eta vs tors. theta energy: -51.789
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: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -723.505099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.505099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.505099 (E_RNA)
where:
Base-Base interactions energy: -485.637
where: short stacking energy: -199.410
Base-Backbone interact. energy: 0.613
local terms energy: -238.481157
where:
bonds (distance) C4'-P energy: -55.377
bonds (distance) P-C4' energy: -47.094
flat angles C4'-P-C4' energy: -45.188
flat angles P-C4'-P energy: -34.920
tors. eta vs tors. theta energy: -55.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -673.677206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.677206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.677206 (E_RNA)
where:
Base-Base interactions energy: -461.144
where: short stacking energy: -200.640
Base-Backbone interact. energy: 0.551
local terms energy: -213.084314
where:
bonds (distance) C4'-P energy: -39.617
bonds (distance) P-C4' energy: -36.044
flat angles C4'-P-C4' energy: -51.521
flat angles P-C4'-P energy: -32.765
tors. eta vs tors. theta energy: -53.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -462.923099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.923099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.923099 (E_RNA)
where:
Base-Base interactions energy: -272.428
where: short stacking energy: -129.685
Base-Backbone interact. energy: -1.173
local terms energy: -189.322113
where:
bonds (distance) C4'-P energy: -48.069
bonds (distance) P-C4' energy: -43.558
flat angles C4'-P-C4' energy: -51.621
flat angles P-C4'-P energy: -19.783
tors. eta vs tors. theta energy: -26.291
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: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -383.833208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.833208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.833208 (E_RNA)
where:
Base-Base interactions energy: -209.713
where: short stacking energy: -100.146
Base-Backbone interact. energy: -1.888
local terms energy: -172.232050
where:
bonds (distance) C4'-P energy: -37.419
bonds (distance) P-C4' energy: -47.740
flat angles C4'-P-C4' energy: -42.671
flat angles P-C4'-P energy: -31.546
tors. eta vs tors. theta energy: -12.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -931.669558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.669558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.669558 (E_RNA)
where:
Base-Base interactions energy: -659.875
where: short stacking energy: -273.301
Base-Backbone interact. energy: -2.364
local terms energy: -269.430377
where:
bonds (distance) C4'-P energy: -49.461
bonds (distance) P-C4' energy: -44.767
flat angles C4'-P-C4' energy: -53.205
flat angles P-C4'-P energy: -38.672
tors. eta vs tors. theta energy: -83.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -909.797036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.797036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.797036 (E_RNA)
where:
Base-Base interactions energy: -643.626
where: short stacking energy: -260.968
Base-Backbone interact. energy: -2.022
local terms energy: -264.149147
where:
bonds (distance) C4'-P energy: -45.675
bonds (distance) P-C4' energy: -51.882
flat angles C4'-P-C4' energy: -53.604
flat angles P-C4'-P energy: -38.283
tors. eta vs tors. theta energy: -74.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -888.137445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.137445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.137445 (E_RNA)
where:
Base-Base interactions energy: -619.126
where: short stacking energy: -254.408
Base-Backbone interact. energy: 3.228
local terms energy: -272.240061
where:
bonds (distance) C4'-P energy: -41.338
bonds (distance) P-C4' energy: -55.807
flat angles C4'-P-C4' energy: -61.825
flat angles P-C4'-P energy: -38.080
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: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -872.670567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.670567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.670567 (E_RNA)
where:
Base-Base interactions energy: -627.718
where: short stacking energy: -244.889
Base-Backbone interact. energy: -1.213
local terms energy: -243.739465
where:
bonds (distance) C4'-P energy: -45.634
bonds (distance) P-C4' energy: -40.530
flat angles C4'-P-C4' energy: -52.422
flat angles P-C4'-P energy: -32.615
tors. eta vs tors. theta energy: -72.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -783.636814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.636814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.636814 (E_RNA)
where:
Base-Base interactions energy: -546.776
where: short stacking energy: -246.276
Base-Backbone interact. energy: -0.903
local terms energy: -235.957446
where:
bonds (distance) C4'-P energy: -46.642
bonds (distance) P-C4' energy: -46.166
flat angles C4'-P-C4' energy: -52.140
flat angles P-C4'-P energy: -22.838
tors. eta vs tors. theta energy: -68.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -738.002970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.002970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.002970 (E_RNA)
where:
Base-Base interactions energy: -499.756
where: short stacking energy: -209.545
Base-Backbone interact. energy: -1.336
local terms energy: -236.910753
where:
bonds (distance) C4'-P energy: -36.634
bonds (distance) P-C4' energy: -54.002
flat angles C4'-P-C4' energy: -47.832
flat angles P-C4'-P energy: -46.278
tors. eta vs tors. theta energy: -52.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -691.594721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.594721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.594721 (E_RNA)
where:
Base-Base interactions energy: -477.785
where: short stacking energy: -217.145
Base-Backbone interact. energy: -1.564
local terms energy: -212.245881
where:
bonds (distance) C4'-P energy: -28.164
bonds (distance) P-C4' energy: -45.085
flat angles C4'-P-C4' energy: -54.082
flat angles P-C4'-P energy: -21.777
tors. eta vs tors. theta energy: -63.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -731.099056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.099056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.099056 (E_RNA)
where:
Base-Base interactions energy: -500.070
where: short stacking energy: -187.656
Base-Backbone interact. energy: -2.148
local terms energy: -228.880558
where:
bonds (distance) C4'-P energy: -38.400
bonds (distance) P-C4' energy: -53.630
flat angles C4'-P-C4' energy: -54.234
flat angles P-C4'-P energy: -23.796
tors. eta vs tors. theta energy: -58.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -405.422527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.422527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.422527 (E_RNA)
where:
Base-Base interactions energy: -248.636
where: short stacking energy: -131.515
Base-Backbone interact. energy: -0.556
local terms energy: -156.230057
where:
bonds (distance) C4'-P energy: -44.790
bonds (distance) P-C4' energy: -42.334
flat angles C4'-P-C4' energy: -36.664
flat angles P-C4'-P energy: -16.324
tors. eta vs tors. theta energy: -16.118
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: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -408.187583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.187583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.187583 (E_RNA)
where:
Base-Base interactions energy: -240.726
where: short stacking energy: -109.796
Base-Backbone interact. energy: -3.185
local terms energy: -164.276199
where:
bonds (distance) C4'-P energy: -39.416
bonds (distance) P-C4' energy: -47.636
flat angles C4'-P-C4' energy: -28.851
flat angles P-C4'-P energy: -27.406
tors. eta vs tors. theta energy: -20.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -940.839419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.839419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.839419 (E_RNA)
where:
Base-Base interactions energy: -652.385
where: short stacking energy: -283.251
Base-Backbone interact. energy: -2.676
local terms energy: -285.778620
where:
bonds (distance) C4'-P energy: -53.126
bonds (distance) P-C4' energy: -55.724
flat angles C4'-P-C4' energy: -56.090
flat angles P-C4'-P energy: -37.099
tors. eta vs tors. theta energy: -83.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -924.533337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.533337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.533337 (E_RNA)
where:
Base-Base interactions energy: -646.458
where: short stacking energy: -262.085
Base-Backbone interact. energy: -1.578
local terms energy: -276.497728
where:
bonds (distance) C4'-P energy: -43.306
bonds (distance) P-C4' energy: -52.441
flat angles C4'-P-C4' energy: -56.434
flat angles P-C4'-P energy: -41.718
tors. eta vs tors. theta energy: -82.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -900.492810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.492810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.492810 (E_RNA)
where:
Base-Base interactions energy: -622.202
where: short stacking energy: -249.809
Base-Backbone interact. energy: -1.645
local terms energy: -276.645891
where:
bonds (distance) C4'-P energy: -58.815
bonds (distance) P-C4' energy: -59.520
flat angles C4'-P-C4' energy: -53.282
flat angles P-C4'-P energy: -34.894
tors. eta vs tors. theta energy: -70.135
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: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -871.965584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.965584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.965584 (E_RNA)
where:
Base-Base interactions energy: -611.818
where: short stacking energy: -242.440
Base-Backbone interact. energy: 0.065
local terms energy: -260.212357
where:
bonds (distance) C4'-P energy: -51.105
bonds (distance) P-C4' energy: -48.479
flat angles C4'-P-C4' energy: -51.832
flat angles P-C4'-P energy: -36.767
tors. eta vs tors. theta energy: -72.029
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: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -790.157315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.157315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.157315 (E_RNA)
where:
Base-Base interactions energy: -543.298
where: short stacking energy: -231.463
Base-Backbone interact. energy: -1.364
local terms energy: -245.495390
where:
bonds (distance) C4'-P energy: -43.164
bonds (distance) P-C4' energy: -52.920
flat angles C4'-P-C4' energy: -47.942
flat angles P-C4'-P energy: -33.945
tors. eta vs tors. theta energy: -67.524
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: 9
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -723.567638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.567638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.567638 (E_RNA)
where:
Base-Base interactions energy: -466.502
where: short stacking energy: -196.953
Base-Backbone interact. energy: -1.985
local terms energy: -255.080530
where:
bonds (distance) C4'-P energy: -54.319
bonds (distance) P-C4' energy: -44.254
flat angles C4'-P-C4' energy: -56.797
flat angles P-C4'-P energy: -40.381
tors. eta vs tors. theta energy: -59.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -746.697505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.697505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.697505 (E_RNA)
where:
Base-Base interactions energy: -489.650
where: short stacking energy: -220.557
Base-Backbone interact. energy: -0.310
local terms energy: -256.738023
where:
bonds (distance) C4'-P energy: -45.493
bonds (distance) P-C4' energy: -50.085
flat angles C4'-P-C4' energy: -56.111
flat angles P-C4'-P energy: -36.688
tors. eta vs tors. theta energy: -68.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -699.002892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.002892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.002892 (E_RNA)
where:
Base-Base interactions energy: -481.855
where: short stacking energy: -198.809
Base-Backbone interact. energy: 1.848
local terms energy: -218.995804
where:
bonds (distance) C4'-P energy: -39.857
bonds (distance) P-C4' energy: -47.113
flat angles C4'-P-C4' energy: -51.770
flat angles P-C4'-P energy: -22.753
tors. eta vs tors. theta energy: -57.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -391.640197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.640197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.640197 (E_RNA)
where:
Base-Base interactions energy: -217.023
where: short stacking energy: -104.665
Base-Backbone interact. energy: 3.853
local terms energy: -178.470375
where:
bonds (distance) C4'-P energy: -41.837
bonds (distance) P-C4' energy: -38.774
flat angles C4'-P-C4' energy: -41.948
flat angles P-C4'-P energy: -28.571
tors. eta vs tors. theta energy: -27.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -431.072429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.072429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.072429 (E_RNA)
where:
Base-Base interactions energy: -270.933
where: short stacking energy: -133.143
Base-Backbone interact. energy: 2.557
local terms energy: -162.696777
where:
bonds (distance) C4'-P energy: -37.914
bonds (distance) P-C4' energy: -39.824
flat angles C4'-P-C4' energy: -46.524
flat angles P-C4'-P energy: -26.698
tors. eta vs tors. theta energy: -11.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -930.890329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.890329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.890329 (E_RNA)
where:
Base-Base interactions energy: -642.287
where: short stacking energy: -272.221
Base-Backbone interact. energy: -0.267
local terms energy: -288.336479
where:
bonds (distance) C4'-P energy: -55.773
bonds (distance) P-C4' energy: -58.312
flat angles C4'-P-C4' energy: -56.928
flat angles P-C4'-P energy: -35.095
tors. eta vs tors. theta energy: -82.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -902.592888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.592888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.592888 (E_RNA)
where:
Base-Base interactions energy: -619.154
where: short stacking energy: -269.220
Base-Backbone interact. energy: -0.329
local terms energy: -283.109413
where:
bonds (distance) C4'-P energy: -55.421
bonds (distance) P-C4' energy: -54.722
flat angles C4'-P-C4' energy: -55.832
flat angles P-C4'-P energy: -35.114
tors. eta vs tors. theta energy: -82.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -888.430623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.430623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.430623 (E_RNA)
where:
Base-Base interactions energy: -629.496
where: short stacking energy: -239.356
Base-Backbone interact. energy: -2.472
local terms energy: -256.462316
where:
bonds (distance) C4'-P energy: -52.975
bonds (distance) P-C4' energy: -47.794
flat angles C4'-P-C4' energy: -47.881
flat angles P-C4'-P energy: -37.459
tors. eta vs tors. theta energy: -70.354
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: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -863.895213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.895213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.895213 (E_RNA)
where:
Base-Base interactions energy: -599.421
where: short stacking energy: -242.883
Base-Backbone interact. energy: -2.139
local terms energy: -262.334719
where:
bonds (distance) C4'-P energy: -51.807
bonds (distance) P-C4' energy: -47.681
flat angles C4'-P-C4' energy: -57.346
flat angles P-C4'-P energy: -36.840
tors. eta vs tors. theta energy: -68.661
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: 16
Temperature: 1.100000
Total energy: -810.554827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.554827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.554827 (E_RNA)
where:
Base-Base interactions energy: -556.773
where: short stacking energy: -234.610
Base-Backbone interact. energy: -0.328
local terms energy: -253.453885
where:
bonds (distance) C4'-P energy: -36.129
bonds (distance) P-C4' energy: -47.661
flat angles C4'-P-C4' energy: -56.823
flat angles P-C4'-P energy: -41.093
tors. eta vs tors. theta energy: -71.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -673.183814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.183814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.183814 (E_RNA)
where:
Base-Base interactions energy: -442.504
where: short stacking energy: -179.877
Base-Backbone interact. energy: -1.531
local terms energy: -229.149144
where:
bonds (distance) C4'-P energy: -42.544
bonds (distance) P-C4' energy: -43.498
flat angles C4'-P-C4' energy: -57.802
flat angles P-C4'-P energy: -31.356
tors. eta vs tors. theta energy: -53.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -712.812437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.812437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.812437 (E_RNA)
where:
Base-Base interactions energy: -478.904
where: short stacking energy: -225.426
Base-Backbone interact. energy: 3.062
local terms energy: -236.970234
where:
bonds (distance) C4'-P energy: -39.418
bonds (distance) P-C4' energy: -49.757
flat angles C4'-P-C4' energy: -48.381
flat angles P-C4'-P energy: -27.491
tors. eta vs tors. theta energy: -71.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -670.640226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.640226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.640226 (E_RNA)
where:
Base-Base interactions energy: -457.412
where: short stacking energy: -196.898
Base-Backbone interact. energy: 4.493
local terms energy: -217.721267
where:
bonds (distance) C4'-P energy: -50.241
bonds (distance) P-C4' energy: -38.658
flat angles C4'-P-C4' energy: -50.170
flat angles P-C4'-P energy: -28.795
tors. eta vs tors. theta energy: -49.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -389.896650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.896650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.896650 (E_RNA)
where:
Base-Base interactions energy: -252.379
where: short stacking energy: -110.016
Base-Backbone interact. energy: 1.691
local terms energy: -139.208443
where:
bonds (distance) C4'-P energy: -45.654
bonds (distance) P-C4' energy: -35.055
flat angles C4'-P-C4' energy: -28.939
flat angles P-C4'-P energy: -21.352
tors. eta vs tors. theta energy: -8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -379.495274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.495274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.495274 (E_RNA)
where:
Base-Base interactions energy: -215.677
where: short stacking energy: -118.855
Base-Backbone interact. energy: 3.569
local terms energy: -167.387594
where:
bonds (distance) C4'-P energy: -42.554
bonds (distance) P-C4' energy: -48.341
flat angles C4'-P-C4' energy: -40.166
flat angles P-C4'-P energy: -18.392
tors. eta vs tors. theta energy: -17.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -912.551190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.551190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.551190 (E_RNA)
where:
Base-Base interactions energy: -626.378
where: short stacking energy: -254.797
Base-Backbone interact. energy: -2.800
local terms energy: -283.373190
where:
bonds (distance) C4'-P energy: -53.909
bonds (distance) P-C4' energy: -57.384
flat angles C4'-P-C4' energy: -57.173
flat angles P-C4'-P energy: -40.079
tors. eta vs tors. theta energy: -74.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -915.418942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.418942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.418942 (E_RNA)
where:
Base-Base interactions energy: -644.104
where: short stacking energy: -255.160
Base-Backbone interact. energy: -0.588
local terms energy: -270.727125
where:
bonds (distance) C4'-P energy: -53.355
bonds (distance) P-C4' energy: -54.348
flat angles C4'-P-C4' energy: -59.057
flat angles P-C4'-P energy: -33.120
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: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -882.100278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.100278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.100278 (E_RNA)
where:
Base-Base interactions energy: -601.271
where: short stacking energy: -267.312
Base-Backbone interact. energy: -1.866
local terms energy: -278.963443
where:
bonds (distance) C4'-P energy: -53.223
bonds (distance) P-C4' energy: -49.206
flat angles C4'-P-C4' energy: -55.693
flat angles P-C4'-P energy: -40.548
tors. eta vs tors. theta energy: -80.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -867.394521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.394521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.394521 (E_RNA)
where:
Base-Base interactions energy: -599.982
where: short stacking energy: -231.069
Base-Backbone interact. energy: -1.340
local terms energy: -266.073201
where:
bonds (distance) C4'-P energy: -51.263
bonds (distance) P-C4' energy: -47.687
flat angles C4'-P-C4' energy: -54.578
flat angles P-C4'-P energy: -37.684
tors. eta vs tors. theta energy: -74.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -815.888055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.888055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.888055 (E_RNA)
where:
Base-Base interactions energy: -562.242
where: short stacking energy: -253.731
Base-Backbone interact. energy: -0.549
local terms energy: -253.097428
where:
bonds (distance) C4'-P energy: -45.836
bonds (distance) P-C4' energy: -45.749
flat angles C4'-P-C4' energy: -52.670
flat angles P-C4'-P energy: -39.773
tors. eta vs tors. theta energy: -69.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -764.812603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.812603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.812603 (E_RNA)
where:
Base-Base interactions energy: -513.266
where: short stacking energy: -203.129
Base-Backbone interact. energy: -0.917
local terms energy: -250.629036
where:
bonds (distance) C4'-P energy: -50.266
bonds (distance) P-C4' energy: -45.108
flat angles C4'-P-C4' energy: -50.910
flat angles P-C4'-P energy: -32.427
tors. eta vs tors. theta energy: -71.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -663.565939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.565939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.565939 (E_RNA)
where:
Base-Base interactions energy: -446.715
where: short stacking energy: -203.795
Base-Backbone interact. energy: 1.521
local terms energy: -218.371933
where:
bonds (distance) C4'-P energy: -46.057
bonds (distance) P-C4' energy: -51.343
flat angles C4'-P-C4' energy: -42.398
flat angles P-C4'-P energy: -24.519
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: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -648.264837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.264837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.264837 (E_RNA)
where:
Base-Base interactions energy: -422.544
where: short stacking energy: -204.931
Base-Backbone interact. energy: -0.750
local terms energy: -224.970543
where:
bonds (distance) C4'-P energy: -47.318
bonds (distance) P-C4' energy: -42.761
flat angles C4'-P-C4' energy: -52.411
flat angles P-C4'-P energy: -30.978
tors. eta vs tors. theta energy: -51.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -393.261287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.261287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.261287 (E_RNA)
where:
Base-Base interactions energy: -217.708
where: short stacking energy: -107.319
Base-Backbone interact. energy: -0.395
local terms energy: -175.158114
where:
bonds (distance) C4'-P energy: -46.764
bonds (distance) P-C4' energy: -55.476
flat angles C4'-P-C4' energy: -46.335
flat angles P-C4'-P energy: -15.803
tors. eta vs tors. theta energy: -10.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -349.515323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.515323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.515323 (E_RNA)
where:
Base-Base interactions energy: -183.153
where: short stacking energy: -92.787
Base-Backbone interact. energy: 0.990
local terms energy: -167.352648
where:
bonds (distance) C4'-P energy: -46.240
bonds (distance) P-C4' energy: -45.940
flat angles C4'-P-C4' energy: -32.529
flat angles P-C4'-P energy: -31.526
tors. eta vs tors. theta energy: -11.117
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: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -938.978530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.978530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.978530 (E_RNA)
where:
Base-Base interactions energy: -657.227
where: short stacking energy: -261.178
Base-Backbone interact. energy: 0.624
local terms energy: -282.375394
where:
bonds (distance) C4'-P energy: -53.937
bonds (distance) P-C4' energy: -51.686
flat angles C4'-P-C4' energy: -60.064
flat angles P-C4'-P energy: -40.494
tors. eta vs tors. theta energy: -76.195
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: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -913.976623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.976623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.976623 (E_RNA)
where:
Base-Base interactions energy: -636.411
where: short stacking energy: -251.891
Base-Backbone interact. energy: 0.604
local terms energy: -278.170045
where:
bonds (distance) C4'-P energy: -50.875
bonds (distance) P-C4' energy: -53.544
flat angles C4'-P-C4' energy: -61.476
flat angles P-C4'-P energy: -34.912
tors. eta vs tors. theta energy: -77.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -879.819008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.819008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.819008 (E_RNA)
where:
Base-Base interactions energy: -628.723
where: short stacking energy: -241.196
Base-Backbone interact. energy: -1.315
local terms energy: -249.781278
where:
bonds (distance) C4'-P energy: -41.707
bonds (distance) P-C4' energy: -50.735
flat angles C4'-P-C4' energy: -51.758
flat angles P-C4'-P energy: -38.536
tors. eta vs tors. theta energy: -67.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -895.379434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.379434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.379434 (E_RNA)
where:
Base-Base interactions energy: -623.998
where: short stacking energy: -256.277
Base-Backbone interact. energy: -2.370
local terms energy: -269.011073
where:
bonds (distance) C4'-P energy: -48.250
bonds (distance) P-C4' energy: -58.616
flat angles C4'-P-C4' energy: -53.638
flat angles P-C4'-P energy: -30.420
tors. eta vs tors. theta energy: -78.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -809.670170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.670170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.670170 (E_RNA)
where:
Base-Base interactions energy: -549.752
where: short stacking energy: -230.244
Base-Backbone interact. energy: -0.290
local terms energy: -259.628121
where:
bonds (distance) C4'-P energy: -49.187
bonds (distance) P-C4' energy: -57.064
flat angles C4'-P-C4' energy: -54.521
flat angles P-C4'-P energy: -32.361
tors. eta vs tors. theta energy: -66.496
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: 18
Temperature: 1.150000
Total energy: -761.689374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.689374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.689374 (E_RNA)
where:
Base-Base interactions energy: -506.878
where: short stacking energy: -219.162
Base-Backbone interact. energy: -2.657
local terms energy: -252.154546
where:
bonds (distance) C4'-P energy: -50.772
bonds (distance) P-C4' energy: -50.105
flat angles C4'-P-C4' energy: -53.270
flat angles P-C4'-P energy: -33.625
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: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -664.555959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.555959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.555959 (E_RNA)
where:
Base-Base interactions energy: -429.025
where: short stacking energy: -197.304
Base-Backbone interact. energy: -1.831
local terms energy: -233.700430
where:
bonds (distance) C4'-P energy: -57.928
bonds (distance) P-C4' energy: -42.658
flat angles C4'-P-C4' energy: -51.059
flat angles P-C4'-P energy: -31.027
tors. eta vs tors. theta energy: -51.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -631.946917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.946917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.946917 (E_RNA)
where:
Base-Base interactions energy: -410.335
where: short stacking energy: -174.933
Base-Backbone interact. energy: -1.247
local terms energy: -220.365274
where:
bonds (distance) C4'-P energy: -44.253
bonds (distance) P-C4' energy: -41.077
flat angles C4'-P-C4' energy: -55.459
flat angles P-C4'-P energy: -36.896
tors. eta vs tors. theta energy: -42.680
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: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -374.322865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.322865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.322865 (E_RNA)
where:
Base-Base interactions energy: -216.632
where: short stacking energy: -105.796
Base-Backbone interact. energy: -0.140
local terms energy: -157.551652
where:
bonds (distance) C4'-P energy: -42.807
bonds (distance) P-C4' energy: -47.168
flat angles C4'-P-C4' energy: -34.657
flat angles P-C4'-P energy: -22.369
tors. eta vs tors. theta energy: -10.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -364.647574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.647574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.647574 (E_RNA)
where:
Base-Base interactions energy: -198.088
where: short stacking energy: -95.651
Base-Backbone interact. energy: 1.308
local terms energy: -167.867155
where:
bonds (distance) C4'-P energy: -42.118
bonds (distance) P-C4' energy: -49.501
flat angles C4'-P-C4' energy: -40.025
flat angles P-C4'-P energy: -23.006
tors. eta vs tors. theta energy: -13.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -930.390596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.390596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.390596 (E_RNA)
where:
Base-Base interactions energy: -640.897
where: short stacking energy: -273.659
Base-Backbone interact. energy: -1.274
local terms energy: -288.219381
where:
bonds (distance) C4'-P energy: -56.540
bonds (distance) P-C4' energy: -49.988
flat angles C4'-P-C4' energy: -63.307
flat angles P-C4'-P energy: -40.670
tors. eta vs tors. theta energy: -77.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -907.941978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.941978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.941978 (E_RNA)
where:
Base-Base interactions energy: -634.626
where: short stacking energy: -247.544
Base-Backbone interact. energy: 2.902
local terms energy: -276.218591
where:
bonds (distance) C4'-P energy: -53.144
bonds (distance) P-C4' energy: -54.461
flat angles C4'-P-C4' energy: -57.820
flat angles P-C4'-P energy: -36.480
tors. eta vs tors. theta energy: -74.312
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: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -878.382856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.382856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.382856 (E_RNA)
where:
Base-Base interactions energy: -602.764
where: short stacking energy: -253.672
Base-Backbone interact. energy: -2.396
local terms energy: -273.223664
where:
bonds (distance) C4'-P energy: -52.340
bonds (distance) P-C4' energy: -45.983
flat angles C4'-P-C4' energy: -55.984
flat angles P-C4'-P energy: -37.672
tors. eta vs tors. theta energy: -81.246
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: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -881.244014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.244014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.244014 (E_RNA)
where:
Base-Base interactions energy: -625.531
where: short stacking energy: -261.575
Base-Backbone interact. energy: -1.673
local terms energy: -254.040180
where:
bonds (distance) C4'-P energy: -45.235
bonds (distance) P-C4' energy: -53.288
flat angles C4'-P-C4' energy: -49.193
flat angles P-C4'-P energy: -28.423
tors. eta vs tors. theta energy: -77.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -829.617812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.617812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.617812 (E_RNA)
where:
Base-Base interactions energy: -562.735
where: short stacking energy: -233.653
Base-Backbone interact. energy: -0.906
local terms energy: -265.976478
where:
bonds (distance) C4'-P energy: -49.052
bonds (distance) P-C4' energy: -50.294
flat angles C4'-P-C4' energy: -57.687
flat angles P-C4'-P energy: -44.013
tors. eta vs tors. theta energy: -64.931
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: 19
Temperature: 1.150000
Total energy: -777.810930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.810930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.810930 (E_RNA)
where:
Base-Base interactions energy: -514.011
where: short stacking energy: -212.261
Base-Backbone interact. energy: -1.225
local terms energy: -262.574977
where:
bonds (distance) C4'-P energy: -44.894
bonds (distance) P-C4' energy: -52.165
flat angles C4'-P-C4' energy: -57.588
flat angles P-C4'-P energy: -40.398
tors. eta vs tors. theta energy: -67.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -691.919246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.919246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.919246 (E_RNA)
where:
Base-Base interactions energy: -460.972
where: short stacking energy: -200.998
Base-Backbone interact. energy: -2.385
local terms energy: -228.561687
where:
bonds (distance) C4'-P energy: -50.226
bonds (distance) P-C4' energy: -35.745
flat angles C4'-P-C4' energy: -56.155
flat angles P-C4'-P energy: -28.542
tors. eta vs tors. theta energy: -57.895
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: 19
Temperature: 1.250000
Total energy: -585.198044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.198044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.198044 (E_RNA)
where:
Base-Base interactions energy: -372.618
where: short stacking energy: -162.915
Base-Backbone interact. energy: -0.479
local terms energy: -212.100822
where:
bonds (distance) C4'-P energy: -35.092
bonds (distance) P-C4' energy: -46.262
flat angles C4'-P-C4' energy: -43.081
flat angles P-C4'-P energy: -42.896
tors. eta vs tors. theta energy: -44.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -356.550370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.550370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.550370 (E_RNA)
where:
Base-Base interactions energy: -199.822
where: short stacking energy: -105.057
Base-Backbone interact. energy: -0.665
local terms energy: -156.062970
where:
bonds (distance) C4'-P energy: -53.307
bonds (distance) P-C4' energy: -45.443
flat angles C4'-P-C4' energy: -29.364
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -10.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -341.905806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.905806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.905806 (E_RNA)
where:
Base-Base interactions energy: -197.268
where: short stacking energy: -100.084
Base-Backbone interact. energy: 0.139
local terms energy: -144.777562
where:
bonds (distance) C4'-P energy: -35.707
bonds (distance) P-C4' energy: -48.742
flat angles C4'-P-C4' energy: -32.769
flat angles P-C4'-P energy: -27.525
tors. eta vs tors. theta energy: -0.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -940.011225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.011225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.011225 (E_RNA)
where:
Base-Base interactions energy: -653.274
where: short stacking energy: -251.213
Base-Backbone interact. energy: -1.457
local terms energy: -285.280602
where:
bonds (distance) C4'-P energy: -53.211
bonds (distance) P-C4' energy: -58.898
flat angles C4'-P-C4' energy: -57.935
flat angles P-C4'-P energy: -36.302
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: 2, replica: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -920.150941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.150941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.150941 (E_RNA)
where:
Base-Base interactions energy: -630.065
where: short stacking energy: -263.339
Base-Backbone interact. energy: -1.615
local terms energy: -288.471450
where:
bonds (distance) C4'-P energy: -44.968
bonds (distance) P-C4' energy: -60.419
flat angles C4'-P-C4' energy: -63.734
flat angles P-C4'-P energy: -41.179
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: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -895.723204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.723204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.723204 (E_RNA)
where:
Base-Base interactions energy: -622.137
where: short stacking energy: -246.531
Base-Backbone interact. energy: -1.647
local terms energy: -271.939286
where:
bonds (distance) C4'-P energy: -54.130
bonds (distance) P-C4' energy: -50.673
flat angles C4'-P-C4' energy: -50.547
flat angles P-C4'-P energy: -44.161
tors. eta vs tors. theta energy: -72.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -886.806093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.806093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.806093 (E_RNA)
where:
Base-Base interactions energy: -616.621
where: short stacking energy: -256.744
Base-Backbone interact. energy: 1.919
local terms energy: -272.104687
where:
bonds (distance) C4'-P energy: -46.692
bonds (distance) P-C4' energy: -53.551
flat angles C4'-P-C4' energy: -56.569
flat angles P-C4'-P energy: -43.324
tors. eta vs tors. theta energy: -71.970
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: 5, replica: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -790.031627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.031627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.031627 (E_RNA)
where:
Base-Base interactions energy: -549.010
where: short stacking energy: -237.311
Base-Backbone interact. energy: -2.201
local terms energy: -238.820041
where:
bonds (distance) C4'-P energy: -40.495
bonds (distance) P-C4' energy: -52.337
flat angles C4'-P-C4' energy: -54.378
flat angles P-C4'-P energy: -19.631
tors. eta vs tors. theta energy: -71.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -757.504325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.504325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.504325 (E_RNA)
where:
Base-Base interactions energy: -498.835
where: short stacking energy: -220.879
Base-Backbone interact. energy: -0.291
local terms energy: -258.378136
where:
bonds (distance) C4'-P energy: -54.394
bonds (distance) P-C4' energy: -49.594
flat angles C4'-P-C4' energy: -50.508
flat angles P-C4'-P energy: -34.385
tors. eta vs tors. theta energy: -69.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -703.155883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.155883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.155883 (E_RNA)
where:
Base-Base interactions energy: -482.993
where: short stacking energy: -204.450
Base-Backbone interact. energy: -1.558
local terms energy: -218.604750
where:
bonds (distance) C4'-P energy: -43.884
bonds (distance) P-C4' energy: -41.099
flat angles C4'-P-C4' energy: -52.835
flat angles P-C4'-P energy: -28.285
tors. eta vs tors. theta energy: -52.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -553.363084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.363084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.363084 (E_RNA)
where:
Base-Base interactions energy: -347.840
where: short stacking energy: -149.728
Base-Backbone interact. energy: -2.333
local terms energy: -203.189929
where:
bonds (distance) C4'-P energy: -37.310
bonds (distance) P-C4' energy: -44.415
flat angles C4'-P-C4' energy: -54.729
flat angles P-C4'-P energy: -34.500
tors. eta vs tors. theta energy: -32.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -317.141779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.141779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.141779 (E_RNA)
where:
Base-Base interactions energy: -175.861
where: short stacking energy: -75.215
Base-Backbone interact. energy: 3.663
local terms energy: -144.943580
where:
bonds (distance) C4'-P energy: -42.548
bonds (distance) P-C4' energy: -50.327
flat angles C4'-P-C4' energy: -26.983
flat angles P-C4'-P energy: -21.253
tors. eta vs tors. theta energy: -3.832
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: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -312.285241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.285241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.285241 (E_RNA)
where:
Base-Base interactions energy: -172.919
where: short stacking energy: -99.163
Base-Backbone interact. energy: -1.969
local terms energy: -137.397367
where:
bonds (distance) C4'-P energy: -36.035
bonds (distance) P-C4' energy: -48.370
flat angles C4'-P-C4' energy: -33.253
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -4.355
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: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -928.562642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.562642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.562642 (E_RNA)
where:
Base-Base interactions energy: -651.250
where: short stacking energy: -249.982
Base-Backbone interact. energy: -0.389
local terms energy: -276.923693
where:
bonds (distance) C4'-P energy: -48.300
bonds (distance) P-C4' energy: -51.655
flat angles C4'-P-C4' energy: -55.995
flat angles P-C4'-P energy: -44.707
tors. eta vs tors. theta energy: -76.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -925.123074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.123074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.123074 (E_RNA)
where:
Base-Base interactions energy: -644.435
where: short stacking energy: -263.453
Base-Backbone interact. energy: -0.827
local terms energy: -279.861072
where:
bonds (distance) C4'-P energy: -43.525
bonds (distance) P-C4' energy: -55.857
flat angles C4'-P-C4' energy: -57.258
flat angles P-C4'-P energy: -44.743
tors. eta vs tors. theta energy: -78.477
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: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -886.881131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.881131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.881131 (E_RNA)
where:
Base-Base interactions energy: -601.784
where: short stacking energy: -246.839
Base-Backbone interact. energy: -1.851
local terms energy: -283.246017
where:
bonds (distance) C4'-P energy: -50.307
bonds (distance) P-C4' energy: -62.390
flat angles C4'-P-C4' energy: -58.615
flat angles P-C4'-P energy: -36.047
tors. eta vs tors. theta energy: -75.887
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: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -879.311806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.311806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.311806 (E_RNA)
where:
Base-Base interactions energy: -610.817
where: short stacking energy: -251.568
Base-Backbone interact. energy: -1.393
local terms energy: -267.101889
where:
bonds (distance) C4'-P energy: -50.564
bonds (distance) P-C4' energy: -47.822
flat angles C4'-P-C4' energy: -59.614
flat angles P-C4'-P energy: -35.146
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: 5, replica: 4
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -832.595167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.595167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.595167 (E_RNA)
where:
Base-Base interactions energy: -583.176
where: short stacking energy: -240.454
Base-Backbone interact. energy: 2.621
local terms energy: -252.040207
where:
bonds (distance) C4'-P energy: -46.640
bonds (distance) P-C4' energy: -45.652
flat angles C4'-P-C4' energy: -53.666
flat angles P-C4'-P energy: -37.915
tors. eta vs tors. theta energy: -68.167
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: 6
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -753.130016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.130016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.130016 (E_RNA)
where:
Base-Base interactions energy: -522.372
where: short stacking energy: -234.121
Base-Backbone interact. energy: 0.541
local terms energy: -231.298542
where:
bonds (distance) C4'-P energy: -41.222
bonds (distance) P-C4' energy: -43.960
flat angles C4'-P-C4' energy: -57.242
flat angles P-C4'-P energy: -26.475
tors. eta vs tors. theta energy: -62.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -693.916072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.916072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.916072 (E_RNA)
where:
Base-Base interactions energy: -465.383
where: short stacking energy: -202.702
Base-Backbone interact. energy: 0.083
local terms energy: -228.616138
where:
bonds (distance) C4'-P energy: -46.606
bonds (distance) P-C4' energy: -40.811
flat angles C4'-P-C4' energy: -51.652
flat angles P-C4'-P energy: -40.679
tors. eta vs tors. theta energy: -48.868
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: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -552.347506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.347506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.347506 (E_RNA)
where:
Base-Base interactions energy: -367.069
where: short stacking energy: -141.848
Base-Backbone interact. energy: 0.036
local terms energy: -185.314588
where:
bonds (distance) C4'-P energy: -36.136
bonds (distance) P-C4' energy: -39.225
flat angles C4'-P-C4' energy: -45.536
flat angles P-C4'-P energy: -32.208
tors. eta vs tors. theta energy: -32.209
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: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -303.122561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.122561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.122561 (E_RNA)
where:
Base-Base interactions energy: -146.067
where: short stacking energy: -74.962
Base-Backbone interact. energy: -0.624
local terms energy: -156.431545
where:
bonds (distance) C4'-P energy: -41.323
bonds (distance) P-C4' energy: -42.159
flat angles C4'-P-C4' energy: -42.752
flat angles P-C4'-P energy: -33.325
tors. eta vs tors. theta energy: 3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -307.546596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.546596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.546596 (E_RNA)
where:
Base-Base interactions energy: -164.270
where: short stacking energy: -88.374
Base-Backbone interact. energy: 0.519
local terms energy: -143.795469
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -43.824
flat angles C4'-P-C4' energy: -41.790
flat angles P-C4'-P energy: -29.824
tors. eta vs tors. theta energy: -6.263
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: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -925.575941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.575941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.575941 (E_RNA)
where:
Base-Base interactions energy: -641.942
where: short stacking energy: -257.644
Base-Backbone interact. energy: -2.409
local terms energy: -281.224616
where:
bonds (distance) C4'-P energy: -50.579
bonds (distance) P-C4' energy: -53.451
flat angles C4'-P-C4' energy: -60.778
flat angles P-C4'-P energy: -39.502
tors. eta vs tors. theta energy: -76.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -902.041801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.041801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.041801 (E_RNA)
where:
Base-Base interactions energy: -630.450
where: short stacking energy: -266.682
Base-Backbone interact. energy: -1.622
local terms energy: -269.969553
where:
bonds (distance) C4'-P energy: -46.140
bonds (distance) P-C4' energy: -56.584
flat angles C4'-P-C4' energy: -52.916
flat angles P-C4'-P energy: -36.876
tors. eta vs tors. theta energy: -77.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -899.901464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.901464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.901464 (E_RNA)
where:
Base-Base interactions energy: -627.291
where: short stacking energy: -259.209
Base-Backbone interact. energy: 0.124
local terms energy: -272.734696
where:
bonds (distance) C4'-P energy: -45.367
bonds (distance) P-C4' energy: -43.579
flat angles C4'-P-C4' energy: -63.034
flat angles P-C4'-P energy: -42.100
tors. eta vs tors. theta energy: -78.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -858.562815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.562815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.562815 (E_RNA)
where:
Base-Base interactions energy: -592.023
where: short stacking energy: -225.988
Base-Backbone interact. energy: -1.627
local terms energy: -264.912364
where:
bonds (distance) C4'-P energy: -49.607
bonds (distance) P-C4' energy: -51.026
flat angles C4'-P-C4' energy: -57.715
flat angles P-C4'-P energy: -36.502
tors. eta vs tors. theta energy: -70.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -829.145554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.145554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.145554 (E_RNA)
where:
Base-Base interactions energy: -568.298
where: short stacking energy: -236.636
Base-Backbone interact. energy: -1.321
local terms energy: -259.526741
where:
bonds (distance) C4'-P energy: -48.278
bonds (distance) P-C4' energy: -53.159
flat angles C4'-P-C4' energy: -54.304
flat angles P-C4'-P energy: -30.676
tors. eta vs tors. theta energy: -73.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -732.524632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.524632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.524632 (E_RNA)
where:
Base-Base interactions energy: -485.175
where: short stacking energy: -223.439
Base-Backbone interact. energy: -0.163
local terms energy: -247.186671
where:
bonds (distance) C4'-P energy: -48.451
bonds (distance) P-C4' energy: -46.001
flat angles C4'-P-C4' energy: -59.102
flat angles P-C4'-P energy: -32.523
tors. eta vs tors. theta energy: -61.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -712.030699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.030699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.030699 (E_RNA)
where:
Base-Base interactions energy: -473.594
where: short stacking energy: -222.880
Base-Backbone interact. energy: -0.409
local terms energy: -238.026980
where:
bonds (distance) C4'-P energy: -40.463
bonds (distance) P-C4' energy: -54.317
flat angles C4'-P-C4' energy: -48.928
flat angles P-C4'-P energy: -32.576
tors. eta vs tors. theta energy: -61.744
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: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -559.019367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.019367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.019367 (E_RNA)
where:
Base-Base interactions energy: -347.753
where: short stacking energy: -157.198
Base-Backbone interact. energy: -0.275
local terms energy: -210.991566
where:
bonds (distance) C4'-P energy: -48.869
bonds (distance) P-C4' energy: -50.034
flat angles C4'-P-C4' energy: -43.121
flat angles P-C4'-P energy: -25.749
tors. eta vs tors. theta energy: -43.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -365.200006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.200006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.200006 (E_RNA)
where:
Base-Base interactions energy: -193.898
where: short stacking energy: -93.606
Base-Backbone interact. energy: -0.681
local terms energy: -170.621327
where:
bonds (distance) C4'-P energy: -44.316
bonds (distance) P-C4' energy: -48.204
flat angles C4'-P-C4' energy: -36.911
flat angles P-C4'-P energy: -26.881
tors. eta vs tors. theta energy: -14.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -308.893291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.893291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.893291 (E_RNA)
where:
Base-Base interactions energy: -141.656
where: short stacking energy: -82.214
Base-Backbone interact. energy: -0.943
local terms energy: -166.294307
where:
bonds (distance) C4'-P energy: -45.056
bonds (distance) P-C4' energy: -53.031
flat angles C4'-P-C4' energy: -54.528
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -929.308874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.308874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.308874 (E_RNA)
where:
Base-Base interactions energy: -639.391
where: short stacking energy: -261.888
Base-Backbone interact. energy: -1.885
local terms energy: -288.032725
where:
bonds (distance) C4'-P energy: -51.079
bonds (distance) P-C4' energy: -52.637
flat angles C4'-P-C4' energy: -60.452
flat angles P-C4'-P energy: -48.715
tors. eta vs tors. theta energy: -75.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -907.648505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.648505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.648505 (E_RNA)
where:
Base-Base interactions energy: -625.384
where: short stacking energy: -260.751
Base-Backbone interact. energy: -2.539
local terms energy: -279.726041
where:
bonds (distance) C4'-P energy: -47.600
bonds (distance) P-C4' energy: -57.768
flat angles C4'-P-C4' energy: -58.691
flat angles P-C4'-P energy: -36.658
tors. eta vs tors. theta energy: -79.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -891.251901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.251901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.251901 (E_RNA)
where:
Base-Base interactions energy: -607.038
where: short stacking energy: -228.154
Base-Backbone interact. energy: -1.561
local terms energy: -282.652217
where:
bonds (distance) C4'-P energy: -46.138
bonds (distance) P-C4' energy: -54.313
flat angles C4'-P-C4' energy: -64.026
flat angles P-C4'-P energy: -43.790
tors. eta vs tors. theta energy: -74.385
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: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -870.115726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.115726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.115726 (E_RNA)
where:
Base-Base interactions energy: -604.454
where: short stacking energy: -234.758
Base-Backbone interact. energy: -2.723
local terms energy: -262.938072
where:
bonds (distance) C4'-P energy: -50.223
bonds (distance) P-C4' energy: -48.674
flat angles C4'-P-C4' energy: -55.429
flat angles P-C4'-P energy: -39.920
tors. eta vs tors. theta energy: -68.692
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: 5, replica: 4
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -819.437072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.437072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.437072 (E_RNA)
where:
Base-Base interactions energy: -556.393
where: short stacking energy: -234.102
Base-Backbone interact. energy: -2.722
local terms energy: -260.321765
where:
bonds (distance) C4'-P energy: -46.014
bonds (distance) P-C4' energy: -49.577
flat angles C4'-P-C4' energy: -48.532
flat angles P-C4'-P energy: -41.719
tors. eta vs tors. theta energy: -74.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -731.805583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.805583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.805583 (E_RNA)
where:
Base-Base interactions energy: -497.850
where: short stacking energy: -211.851
Base-Backbone interact. energy: -0.922
local terms energy: -233.033231
where:
bonds (distance) C4'-P energy: -45.314
bonds (distance) P-C4' energy: -48.954
flat angles C4'-P-C4' energy: -42.679
flat angles P-C4'-P energy: -32.494
tors. eta vs tors. theta energy: -63.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -694.236934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.236934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.236934 (E_RNA)
where:
Base-Base interactions energy: -454.395
where: short stacking energy: -201.456
Base-Backbone interact. energy: -1.977
local terms energy: -237.864989
where:
bonds (distance) C4'-P energy: -35.995
bonds (distance) P-C4' energy: -50.036
flat angles C4'-P-C4' energy: -54.322
flat angles P-C4'-P energy: -37.421
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: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -570.774256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.774256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.774256 (E_RNA)
where:
Base-Base interactions energy: -362.888
where: short stacking energy: -148.473
Base-Backbone interact. energy: -0.849
local terms energy: -207.037066
where:
bonds (distance) C4'-P energy: -40.894
bonds (distance) P-C4' energy: -52.052
flat angles C4'-P-C4' energy: -52.483
flat angles P-C4'-P energy: -29.295
tors. eta vs tors. theta energy: -32.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -451.895792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.895792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.895792 (E_RNA)
where:
Base-Base interactions energy: -261.725
where: short stacking energy: -122.438
Base-Backbone interact. energy: -0.933
local terms energy: -189.237483
where:
bonds (distance) C4'-P energy: -45.268
bonds (distance) P-C4' energy: -42.077
flat angles C4'-P-C4' energy: -39.457
flat angles P-C4'-P energy: -33.906
tors. eta vs tors. theta energy: -28.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -299.777693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.777693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.777693 (E_RNA)
where:
Base-Base interactions energy: -131.195
where: short stacking energy: -79.709
Base-Backbone interact. energy: -1.065
local terms energy: -167.517448
where:
bonds (distance) C4'-P energy: -44.342
bonds (distance) P-C4' energy: -50.449
flat angles C4'-P-C4' energy: -37.499
flat angles P-C4'-P energy: -36.754
tors. eta vs tors. theta energy: 1.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -928.304685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.304685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.304685 (E_RNA)
where:
Base-Base interactions energy: -647.327
where: short stacking energy: -265.563
Base-Backbone interact. energy: -0.131
local terms energy: -280.846942
where:
bonds (distance) C4'-P energy: -59.466
bonds (distance) P-C4' energy: -56.423
flat angles C4'-P-C4' energy: -56.369
flat angles P-C4'-P energy: -30.885
tors. eta vs tors. theta energy: -77.703
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: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -892.957808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.957808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.957808 (E_RNA)
where:
Base-Base interactions energy: -628.777
where: short stacking energy: -242.161
Base-Backbone interact. energy: -0.891
local terms energy: -263.289521
where:
bonds (distance) C4'-P energy: -44.377
bonds (distance) P-C4' energy: -53.639
flat angles C4'-P-C4' energy: -59.478
flat angles P-C4'-P energy: -33.543
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: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -907.548299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.548299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.548299 (E_RNA)
where:
Base-Base interactions energy: -637.317
where: short stacking energy: -262.590
Base-Backbone interact. energy: 1.205
local terms energy: -271.436130
where:
bonds (distance) C4'-P energy: -52.495
bonds (distance) P-C4' energy: -47.198
flat angles C4'-P-C4' energy: -56.334
flat angles P-C4'-P energy: -39.677
tors. eta vs tors. theta energy: -75.731
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: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -866.065467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.065467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.065467 (E_RNA)
where:
Base-Base interactions energy: -611.357
where: short stacking energy: -249.584
Base-Backbone interact. energy: -0.055
local terms energy: -254.653896
where:
bonds (distance) C4'-P energy: -48.904
bonds (distance) P-C4' energy: -56.175
flat angles C4'-P-C4' energy: -49.882
flat angles P-C4'-P energy: -29.113
tors. eta vs tors. theta energy: -70.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -771.186349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.186349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.186349 (E_RNA)
where:
Base-Base interactions energy: -522.129
where: short stacking energy: -220.426
Base-Backbone interact. energy: -1.829
local terms energy: -247.228417
where:
bonds (distance) C4'-P energy: -45.132
bonds (distance) P-C4' energy: -45.902
flat angles C4'-P-C4' energy: -53.451
flat angles P-C4'-P energy: -36.264
tors. eta vs tors. theta energy: -66.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -717.499147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.499147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.499147 (E_RNA)
where:
Base-Base interactions energy: -464.500
where: short stacking energy: -193.903
Base-Backbone interact. energy: -0.041
local terms energy: -252.958193
where:
bonds (distance) C4'-P energy: -50.923
bonds (distance) P-C4' energy: -59.621
flat angles C4'-P-C4' energy: -49.819
flat angles P-C4'-P energy: -37.157
tors. eta vs tors. theta energy: -55.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -696.806531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.806531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.806531 (E_RNA)
where:
Base-Base interactions energy: -458.204
where: short stacking energy: -203.989
Base-Backbone interact. energy: -1.329
local terms energy: -237.273102
where:
bonds (distance) C4'-P energy: -46.746
bonds (distance) P-C4' energy: -50.669
flat angles C4'-P-C4' energy: -51.575
flat angles P-C4'-P energy: -29.454
tors. eta vs tors. theta energy: -58.828
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: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -590.332278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.332278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.332278 (E_RNA)
where:
Base-Base interactions energy: -383.391
where: short stacking energy: -172.397
Base-Backbone interact. energy: -0.896
local terms energy: -206.045370
where:
bonds (distance) C4'-P energy: -46.017
bonds (distance) P-C4' energy: -44.331
flat angles C4'-P-C4' energy: -43.536
flat angles P-C4'-P energy: -29.130
tors. eta vs tors. theta energy: -43.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -438.768804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.768804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.768804 (E_RNA)
where:
Base-Base interactions energy: -265.769
where: short stacking energy: -131.852
Base-Backbone interact. energy: -1.731
local terms energy: -171.268616
where:
bonds (distance) C4'-P energy: -38.700
bonds (distance) P-C4' energy: -32.566
flat angles C4'-P-C4' energy: -46.394
flat angles P-C4'-P energy: -25.803
tors. eta vs tors. theta energy: -27.805
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: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -295.307281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.307281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.307281 (E_RNA)
where:
Base-Base interactions energy: -147.075
where: short stacking energy: -80.218
Base-Backbone interact. energy: 2.293
local terms energy: -150.525343
where:
bonds (distance) C4'-P energy: -42.140
bonds (distance) P-C4' energy: -45.201
flat angles C4'-P-C4' energy: -37.883
flat angles P-C4'-P energy: -19.208
tors. eta vs tors. theta energy: -6.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -939.529692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.529692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.529692 (E_RNA)
where:
Base-Base interactions energy: -662.594
where: short stacking energy: -241.837
Base-Backbone interact. energy: -1.392
local terms energy: -275.543853
where:
bonds (distance) C4'-P energy: -50.029
bonds (distance) P-C4' energy: -51.580
flat angles C4'-P-C4' energy: -61.610
flat angles P-C4'-P energy: -38.572
tors. eta vs tors. theta energy: -73.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -901.731048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.731048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.731048 (E_RNA)
where:
Base-Base interactions energy: -609.549
where: short stacking energy: -287.609
Base-Backbone interact. energy: -2.516
local terms energy: -289.665724
where:
bonds (distance) C4'-P energy: -54.917
bonds (distance) P-C4' energy: -57.967
flat angles C4'-P-C4' energy: -61.612
flat angles P-C4'-P energy: -35.749
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: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -878.628552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.628552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.628552 (E_RNA)
where:
Base-Base interactions energy: -605.543
where: short stacking energy: -246.425
Base-Backbone interact. energy: 1.276
local terms energy: -274.361838
where:
bonds (distance) C4'-P energy: -42.391
bonds (distance) P-C4' energy: -59.662
flat angles C4'-P-C4' energy: -54.141
flat angles P-C4'-P energy: -43.834
tors. eta vs tors. theta energy: -74.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -816.139806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.139806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.139806 (E_RNA)
where:
Base-Base interactions energy: -559.945
where: short stacking energy: -240.435
Base-Backbone interact. energy: 0.217
local terms energy: -256.411357
where:
bonds (distance) C4'-P energy: -48.443
bonds (distance) P-C4' energy: -44.890
flat angles C4'-P-C4' energy: -50.069
flat angles P-C4'-P energy: -40.865
tors. eta vs tors. theta energy: -72.144
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: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -791.404944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.404944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.404944 (E_RNA)
where:
Base-Base interactions energy: -569.855
where: short stacking energy: -218.091
Base-Backbone interact. energy: -3.441
local terms energy: -218.109431
where:
bonds (distance) C4'-P energy: -34.463
bonds (distance) P-C4' energy: -49.836
flat angles C4'-P-C4' energy: -50.781
flat angles P-C4'-P energy: -26.431
tors. eta vs tors. theta energy: -56.597
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: 25
Temperature: 1.150000
Total energy: -686.262089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.262089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.262089 (E_RNA)
where:
Base-Base interactions energy: -449.921
where: short stacking energy: -187.402
Base-Backbone interact. energy: -3.830
local terms energy: -232.511232
where:
bonds (distance) C4'-P energy: -50.454
bonds (distance) P-C4' energy: -51.241
flat angles C4'-P-C4' energy: -49.660
flat angles P-C4'-P energy: -24.434
tors. eta vs tors. theta energy: -56.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -757.823680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.823680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.823680 (E_RNA)
where:
Base-Base interactions energy: -514.502
where: short stacking energy: -209.629
Base-Backbone interact. energy: 2.340
local terms energy: -245.661361
where:
bonds (distance) C4'-P energy: -45.482
bonds (distance) P-C4' energy: -41.385
flat angles C4'-P-C4' energy: -47.389
flat angles P-C4'-P energy: -41.667
tors. eta vs tors. theta energy: -69.740
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: 25
Temperature: 1.250000
Total energy: -573.793402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.793402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.793402 (E_RNA)
where:
Base-Base interactions energy: -371.668
where: short stacking energy: -167.552
Base-Backbone interact. energy: 0.510
local terms energy: -202.634907
where:
bonds (distance) C4'-P energy: -39.663
bonds (distance) P-C4' energy: -55.916
flat angles C4'-P-C4' energy: -50.937
flat angles P-C4'-P energy: -22.336
tors. eta vs tors. theta energy: -33.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -459.841186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.841186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.841186 (E_RNA)
where:
Base-Base interactions energy: -285.201
where: short stacking energy: -126.794
Base-Backbone interact. energy: -3.233
local terms energy: -171.407610
where:
bonds (distance) C4'-P energy: -35.125
bonds (distance) P-C4' energy: -46.739
flat angles C4'-P-C4' energy: -47.688
flat angles P-C4'-P energy: -23.809
tors. eta vs tors. theta energy: -18.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -302.626626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.626626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.626626 (E_RNA)
where:
Base-Base interactions energy: -147.603
where: short stacking energy: -86.103
Base-Backbone interact. energy: -1.198
local terms energy: -153.825456
where:
bonds (distance) C4'-P energy: -50.621
bonds (distance) P-C4' energy: -40.445
flat angles C4'-P-C4' energy: -41.056
flat angles P-C4'-P energy: -21.697
tors. eta vs tors. theta energy: -0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -942.664691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.664691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.664691 (E_RNA)
where:
Base-Base interactions energy: -646.675
where: short stacking energy: -261.445
Base-Backbone interact. energy: -2.234
local terms energy: -293.754964
where:
bonds (distance) C4'-P energy: -61.851
bonds (distance) P-C4' energy: -52.807
flat angles C4'-P-C4' energy: -55.239
flat angles P-C4'-P energy: -42.671
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: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -917.170420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.170420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.170420 (E_RNA)
where:
Base-Base interactions energy: -615.215
where: short stacking energy: -261.148
Base-Backbone interact. energy: -1.469
local terms energy: -300.486907
where:
bonds (distance) C4'-P energy: -59.610
bonds (distance) P-C4' energy: -60.339
flat angles C4'-P-C4' energy: -64.001
flat angles P-C4'-P energy: -42.569
tors. eta vs tors. theta energy: -73.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -874.415585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.415585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.415585 (E_RNA)
where:
Base-Base interactions energy: -613.852
where: short stacking energy: -250.394
Base-Backbone interact. energy: -0.453
local terms energy: -260.110612
where:
bonds (distance) C4'-P energy: -51.204
bonds (distance) P-C4' energy: -51.696
flat angles C4'-P-C4' energy: -55.519
flat angles P-C4'-P energy: -36.422
tors. eta vs tors. theta energy: -65.270
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: 26
Temperature: 1.050000
Total energy: -823.651888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.651888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.651888 (E_RNA)
where:
Base-Base interactions energy: -564.327
where: short stacking energy: -236.047
Base-Backbone interact. energy: 0.922
local terms energy: -260.246913
where:
bonds (distance) C4'-P energy: -41.133
bonds (distance) P-C4' energy: -45.169
flat angles C4'-P-C4' energy: -60.001
flat angles P-C4'-P energy: -41.694
tors. eta vs tors. theta energy: -72.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -835.961830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.961830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.961830 (E_RNA)
where:
Base-Base interactions energy: -595.421
where: short stacking energy: -214.356
Base-Backbone interact. energy: -1.806
local terms energy: -238.735183
where:
bonds (distance) C4'-P energy: -38.791
bonds (distance) P-C4' energy: -40.472
flat angles C4'-P-C4' energy: -57.677
flat angles P-C4'-P energy: -38.009
tors. eta vs tors. theta energy: -63.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -690.469627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.469627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.469627 (E_RNA)
where:
Base-Base interactions energy: -458.957
where: short stacking energy: -210.499
Base-Backbone interact. energy: -0.523
local terms energy: -230.989409
where:
bonds (distance) C4'-P energy: -44.816
bonds (distance) P-C4' energy: -48.568
flat angles C4'-P-C4' energy: -48.223
flat angles P-C4'-P energy: -35.404
tors. eta vs tors. theta energy: -53.978
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: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -733.632100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.632100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.632100 (E_RNA)
where:
Base-Base interactions energy: -506.218
where: short stacking energy: -219.106
Base-Backbone interact. energy: -2.566
local terms energy: -224.847863
where:
bonds (distance) C4'-P energy: -43.222
bonds (distance) P-C4' energy: -43.286
flat angles C4'-P-C4' energy: -50.061
flat angles P-C4'-P energy: -33.483
tors. eta vs tors. theta energy: -54.796
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: 26
Temperature: 1.250000
Total energy: -592.816287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.816287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.816287 (E_RNA)
where:
Base-Base interactions energy: -395.696
where: short stacking energy: -171.888
Base-Backbone interact. energy: -0.451
local terms energy: -196.668734
where:
bonds (distance) C4'-P energy: -44.523
bonds (distance) P-C4' energy: -46.456
flat angles C4'-P-C4' energy: -45.137
flat angles P-C4'-P energy: -24.236
tors. eta vs tors. theta energy: -36.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -502.431167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.431167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.431167 (E_RNA)
where:
Base-Base interactions energy: -309.674
where: short stacking energy: -151.878
Base-Backbone interact. energy: 2.366
local terms energy: -195.123754
where:
bonds (distance) C4'-P energy: -40.353
bonds (distance) P-C4' energy: -46.027
flat angles C4'-P-C4' energy: -46.201
flat angles P-C4'-P energy: -21.723
tors. eta vs tors. theta energy: -40.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -284.735228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.735228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.735228 (E_RNA)
where:
Base-Base interactions energy: -134.975
where: short stacking energy: -72.994
Base-Backbone interact. energy: 0.821
local terms energy: -150.581199
where:
bonds (distance) C4'-P energy: -45.355
bonds (distance) P-C4' energy: -49.408
flat angles C4'-P-C4' energy: -33.842
flat angles P-C4'-P energy: -26.676
tors. eta vs tors. theta energy: 4.700
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: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -929.888119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.888119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.888119 (E_RNA)
where:
Base-Base interactions energy: -639.681
where: short stacking energy: -264.017
Base-Backbone interact. energy: -2.662
local terms energy: -287.544834
where:
bonds (distance) C4'-P energy: -51.292
bonds (distance) P-C4' energy: -56.457
flat angles C4'-P-C4' energy: -63.394
flat angles P-C4'-P energy: -41.918
tors. eta vs tors. theta energy: -74.484
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: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -915.289491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.289491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.289491 (E_RNA)
where:
Base-Base interactions energy: -632.108
where: short stacking energy: -260.267
Base-Backbone interact. energy: -0.939
local terms energy: -282.241750
where:
bonds (distance) C4'-P energy: -57.657
bonds (distance) P-C4' energy: -52.601
flat angles C4'-P-C4' energy: -48.879
flat angles P-C4'-P energy: -44.853
tors. eta vs tors. theta energy: -78.251
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: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -880.836220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.836220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.836220 (E_RNA)
where:
Base-Base interactions energy: -627.881
where: short stacking energy: -254.583
Base-Backbone interact. energy: -1.815
local terms energy: -251.140323
where:
bonds (distance) C4'-P energy: -35.841
bonds (distance) P-C4' energy: -48.246
flat angles C4'-P-C4' energy: -54.575
flat angles P-C4'-P energy: -37.658
tors. eta vs tors. theta energy: -74.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -842.614047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.614047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.614047 (E_RNA)
where:
Base-Base interactions energy: -588.617
where: short stacking energy: -222.179
Base-Backbone interact. energy: -2.332
local terms energy: -251.665199
where:
bonds (distance) C4'-P energy: -49.690
bonds (distance) P-C4' energy: -45.782
flat angles C4'-P-C4' energy: -56.803
flat angles P-C4'-P energy: -35.561
tors. eta vs tors. theta energy: -63.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -810.522294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.522294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.522294 (E_RNA)
where:
Base-Base interactions energy: -554.366
where: short stacking energy: -235.723
Base-Backbone interact. energy: -0.450
local terms energy: -255.705876
where:
bonds (distance) C4'-P energy: -40.357
bonds (distance) P-C4' energy: -52.820
flat angles C4'-P-C4' energy: -57.470
flat angles P-C4'-P energy: -33.663
tors. eta vs tors. theta energy: -71.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -706.527172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.527172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.527172 (E_RNA)
where:
Base-Base interactions energy: -482.499
where: short stacking energy: -199.733
Base-Backbone interact. energy: -1.849
local terms energy: -222.178924
where:
bonds (distance) C4'-P energy: -41.227
bonds (distance) P-C4' energy: -38.759
flat angles C4'-P-C4' energy: -49.696
flat angles P-C4'-P energy: -37.061
tors. eta vs tors. theta energy: -55.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -710.858777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.858777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.858777 (E_RNA)
where:
Base-Base interactions energy: -477.933
where: short stacking energy: -220.507
Base-Backbone interact. energy: 3.205
local terms energy: -236.130294
where:
bonds (distance) C4'-P energy: -38.209
bonds (distance) P-C4' energy: -41.556
flat angles C4'-P-C4' energy: -52.663
flat angles P-C4'-P energy: -42.111
tors. eta vs tors. theta energy: -61.592
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: 27
Temperature: 1.250000
Total energy: -576.111552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.111552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.111552 (E_RNA)
where:
Base-Base interactions energy: -364.978
where: short stacking energy: -175.631
Base-Backbone interact. energy: -0.406
local terms energy: -210.727451
where:
bonds (distance) C4'-P energy: -50.494
bonds (distance) P-C4' energy: -33.597
flat angles C4'-P-C4' energy: -52.245
flat angles P-C4'-P energy: -32.028
tors. eta vs tors. theta energy: -42.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -504.615157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.615157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.615157 (E_RNA)
where:
Base-Base interactions energy: -314.846
where: short stacking energy: -137.652
Base-Backbone interact. energy: -0.246
local terms energy: -189.522986
where:
bonds (distance) C4'-P energy: -45.537
bonds (distance) P-C4' energy: -49.839
flat angles C4'-P-C4' energy: -43.558
flat angles P-C4'-P energy: -25.465
tors. eta vs tors. theta energy: -25.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -318.433741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.433741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.433741 (E_RNA)
where:
Base-Base interactions energy: -157.516
where: short stacking energy: -103.385
Base-Backbone interact. energy: 0.803
local terms energy: -161.720965
where:
bonds (distance) C4'-P energy: -37.810
bonds (distance) P-C4' energy: -44.886
flat angles C4'-P-C4' energy: -39.383
flat angles P-C4'-P energy: -34.595
tors. eta vs tors. theta energy: -5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -921.993964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.993964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.993964 (E_RNA)
where:
Base-Base interactions energy: -643.507
where: short stacking energy: -272.258
Base-Backbone interact. energy: -3.065
local terms energy: -275.422040
where:
bonds (distance) C4'-P energy: -53.235
bonds (distance) P-C4' energy: -50.627
flat angles C4'-P-C4' energy: -54.366
flat angles P-C4'-P energy: -37.852
tors. eta vs tors. theta energy: -79.343
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: 2, replica: 5
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -928.490308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.490308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.490308 (E_RNA)
where:
Base-Base interactions energy: -668.798
where: short stacking energy: -269.497
Base-Backbone interact. energy: -1.887
local terms energy: -257.806042
where:
bonds (distance) C4'-P energy: -39.719
bonds (distance) P-C4' energy: -50.939
flat angles C4'-P-C4' energy: -49.928
flat angles P-C4'-P energy: -40.889
tors. eta vs tors. theta energy: -76.331
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: 3, replica: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -846.556502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.556502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.556502 (E_RNA)
where:
Base-Base interactions energy: -600.154
where: short stacking energy: -238.728
Base-Backbone interact. energy: -0.195
local terms energy: -246.207735
where:
bonds (distance) C4'-P energy: -42.227
bonds (distance) P-C4' energy: -49.562
flat angles C4'-P-C4' energy: -57.476
flat angles P-C4'-P energy: -36.288
tors. eta vs tors. theta energy: -60.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -878.493493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.493493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.493493 (E_RNA)
where:
Base-Base interactions energy: -624.954
where: short stacking energy: -246.718
Base-Backbone interact. energy: 0.565
local terms energy: -254.104684
where:
bonds (distance) C4'-P energy: -47.894
bonds (distance) P-C4' energy: -43.235
flat angles C4'-P-C4' energy: -54.013
flat angles P-C4'-P energy: -39.471
tors. eta vs tors. theta energy: -69.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -846.074467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.074467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.074467 (E_RNA)
where:
Base-Base interactions energy: -577.172
where: short stacking energy: -260.085
Base-Backbone interact. energy: -0.625
local terms energy: -268.277195
where:
bonds (distance) C4'-P energy: -43.556
bonds (distance) P-C4' energy: -51.333
flat angles C4'-P-C4' energy: -56.309
flat angles P-C4'-P energy: -41.473
tors. eta vs tors. theta energy: -75.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -732.239508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.239508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.239508 (E_RNA)
where:
Base-Base interactions energy: -496.692
where: short stacking energy: -201.678
Base-Backbone interact. energy: 0.235
local terms energy: -235.782838
where:
bonds (distance) C4'-P energy: -53.562
bonds (distance) P-C4' energy: -42.348
flat angles C4'-P-C4' energy: -52.240
flat angles P-C4'-P energy: -24.965
tors. eta vs tors. theta energy: -62.668
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: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -731.791497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.791497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.791497 (E_RNA)
where:
Base-Base interactions energy: -494.845
where: short stacking energy: -212.817
Base-Backbone interact. energy: -0.254
local terms energy: -236.692736
where:
bonds (distance) C4'-P energy: -43.918
bonds (distance) P-C4' energy: -42.478
flat angles C4'-P-C4' energy: -47.933
flat angles P-C4'-P energy: -38.977
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: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -585.277893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.277893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.277893 (E_RNA)
where:
Base-Base interactions energy: -389.138
where: short stacking energy: -154.410
Base-Backbone interact. energy: -1.007
local terms energy: -195.132507
where:
bonds (distance) C4'-P energy: -51.891
bonds (distance) P-C4' energy: -41.456
flat angles C4'-P-C4' energy: -36.010
flat angles P-C4'-P energy: -30.077
tors. eta vs tors. theta energy: -35.700
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: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -457.510425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.510425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.510425 (E_RNA)
where:
Base-Base interactions energy: -270.894
where: short stacking energy: -125.185
Base-Backbone interact. energy: 0.092
local terms energy: -186.707979
where:
bonds (distance) C4'-P energy: -40.557
bonds (distance) P-C4' energy: -45.412
flat angles C4'-P-C4' energy: -53.262
flat angles P-C4'-P energy: -30.144
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -294.338731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.338731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.338731 (E_RNA)
where:
Base-Base interactions energy: -155.270
where: short stacking energy: -93.879
Base-Backbone interact. energy: 0.844
local terms energy: -139.912193
where:
bonds (distance) C4'-P energy: -25.440
bonds (distance) P-C4' energy: -43.250
flat angles C4'-P-C4' energy: -42.201
flat angles P-C4'-P energy: -23.640
tors. eta vs tors. theta energy: -5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -906.497392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.497392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.497392 (E_RNA)
where:
Base-Base interactions energy: -625.604
where: short stacking energy: -261.408
Base-Backbone interact. energy: -2.074
local terms energy: -278.819294
where:
bonds (distance) C4'-P energy: -48.008
bonds (distance) P-C4' energy: -52.207
flat angles C4'-P-C4' energy: -60.413
flat angles P-C4'-P energy: -41.937
tors. eta vs tors. theta energy: -76.255
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: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -919.427868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.427868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.427868 (E_RNA)
where:
Base-Base interactions energy: -626.357
where: short stacking energy: -256.161
Base-Backbone interact. energy: -1.968
local terms energy: -291.103189
where:
bonds (distance) C4'-P energy: -58.317
bonds (distance) P-C4' energy: -53.898
flat angles C4'-P-C4' energy: -50.095
flat angles P-C4'-P energy: -48.145
tors. eta vs tors. theta energy: -80.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -852.673675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.673675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.673675 (E_RNA)
where:
Base-Base interactions energy: -598.705
where: short stacking energy: -233.077
Base-Backbone interact. energy: -1.893
local terms energy: -252.075856
where:
bonds (distance) C4'-P energy: -46.548
bonds (distance) P-C4' energy: -47.577
flat angles C4'-P-C4' energy: -50.280
flat angles P-C4'-P energy: -39.470
tors. eta vs tors. theta energy: -68.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -870.209551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.209551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.209551 (E_RNA)
where:
Base-Base interactions energy: -622.373
where: short stacking energy: -258.591
Base-Backbone interact. energy: -0.134
local terms energy: -247.702514
where:
bonds (distance) C4'-P energy: -48.447
bonds (distance) P-C4' energy: -48.205
flat angles C4'-P-C4' energy: -49.442
flat angles P-C4'-P energy: -29.887
tors. eta vs tors. theta energy: -71.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -845.981411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.981411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.981411 (E_RNA)
where:
Base-Base interactions energy: -589.826
where: short stacking energy: -254.659
Base-Backbone interact. energy: 1.304
local terms energy: -257.459282
where:
bonds (distance) C4'-P energy: -46.509
bonds (distance) P-C4' energy: -47.998
flat angles C4'-P-C4' energy: -49.789
flat angles P-C4'-P energy: -38.774
tors. eta vs tors. theta energy: -74.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -730.227029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.227029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.227029 (E_RNA)
where:
Base-Base interactions energy: -474.535
where: short stacking energy: -209.751
Base-Backbone interact. energy: -2.778
local terms energy: -252.914499
where:
bonds (distance) C4'-P energy: -49.147
bonds (distance) P-C4' energy: -56.433
flat angles C4'-P-C4' energy: -55.136
flat angles P-C4'-P energy: -30.587
tors. eta vs tors. theta energy: -61.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -743.252928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.252928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.252928 (E_RNA)
where:
Base-Base interactions energy: -502.025
where: short stacking energy: -213.779
Base-Backbone interact. energy: -0.956
local terms energy: -240.272600
where:
bonds (distance) C4'-P energy: -41.324
bonds (distance) P-C4' energy: -49.261
flat angles C4'-P-C4' energy: -51.562
flat angles P-C4'-P energy: -35.300
tors. eta vs tors. theta energy: -62.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -610.869372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.869372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.869372 (E_RNA)
where:
Base-Base interactions energy: -398.202
where: short stacking energy: -171.623
Base-Backbone interact. energy: 3.821
local terms energy: -216.488972
where:
bonds (distance) C4'-P energy: -39.472
bonds (distance) P-C4' energy: -57.659
flat angles C4'-P-C4' energy: -43.904
flat angles P-C4'-P energy: -29.557
tors. eta vs tors. theta energy: -45.897
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: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -398.418180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.418180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.418180 (E_RNA)
where:
Base-Base interactions energy: -218.903
where: short stacking energy: -102.879
Base-Backbone interact. energy: -1.356
local terms energy: -178.159028
where:
bonds (distance) C4'-P energy: -39.047
bonds (distance) P-C4' energy: -48.829
flat angles C4'-P-C4' energy: -45.429
flat angles P-C4'-P energy: -34.876
tors. eta vs tors. theta energy: -9.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -294.456932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.456932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.456932 (E_RNA)
where:
Base-Base interactions energy: -130.357
where: short stacking energy: -87.325
Base-Backbone interact. energy: -0.551
local terms energy: -163.548722
where:
bonds (distance) C4'-P energy: -42.063
bonds (distance) P-C4' energy: -54.275
flat angles C4'-P-C4' energy: -43.280
flat angles P-C4'-P energy: -23.800
tors. eta vs tors. theta energy: -0.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -924.837146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.837146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.837146 (E_RNA)
where:
Base-Base interactions energy: -634.205
where: short stacking energy: -258.292
Base-Backbone interact. energy: -1.867
local terms energy: -288.765340
where:
bonds (distance) C4'-P energy: -59.425
bonds (distance) P-C4' energy: -53.306
flat angles C4'-P-C4' energy: -54.181
flat angles P-C4'-P energy: -47.367
tors. eta vs tors. theta energy: -74.487
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: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -903.386259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.386259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.386259 (E_RNA)
where:
Base-Base interactions energy: -628.760
where: short stacking energy: -255.259
Base-Backbone interact. energy: -3.329
local terms energy: -271.297314
where:
bonds (distance) C4'-P energy: -54.218
bonds (distance) P-C4' energy: -51.870
flat angles C4'-P-C4' energy: -61.425
flat angles P-C4'-P energy: -37.070
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: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -906.850315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.850315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.850315 (E_RNA)
where:
Base-Base interactions energy: -620.741
where: short stacking energy: -246.272
Base-Backbone interact. energy: -1.486
local terms energy: -284.623448
where:
bonds (distance) C4'-P energy: -55.406
bonds (distance) P-C4' energy: -59.590
flat angles C4'-P-C4' energy: -55.275
flat angles P-C4'-P energy: -42.198
tors. eta vs tors. theta energy: -72.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -862.599991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.599991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.599991 (E_RNA)
where:
Base-Base interactions energy: -605.792
where: short stacking energy: -232.345
Base-Backbone interact. energy: -0.927
local terms energy: -255.881310
where:
bonds (distance) C4'-P energy: -49.359
bonds (distance) P-C4' energy: -50.952
flat angles C4'-P-C4' energy: -59.070
flat angles P-C4'-P energy: -28.767
tors. eta vs tors. theta energy: -67.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -790.025049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.025049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.025049 (E_RNA)
where:
Base-Base interactions energy: -548.513
where: short stacking energy: -231.897
Base-Backbone interact. energy: -1.577
local terms energy: -239.934777
where:
bonds (distance) C4'-P energy: -38.848
bonds (distance) P-C4' energy: -50.115
flat angles C4'-P-C4' energy: -43.767
flat angles P-C4'-P energy: -38.673
tors. eta vs tors. theta energy: -68.531
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: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -695.658419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.658419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.658419 (E_RNA)
where:
Base-Base interactions energy: -480.082
where: short stacking energy: -201.184
Base-Backbone interact. energy: -1.934
local terms energy: -213.641559
where:
bonds (distance) C4'-P energy: -52.802
bonds (distance) P-C4' energy: -41.295
flat angles C4'-P-C4' energy: -41.666
flat angles P-C4'-P energy: -22.139
tors. eta vs tors. theta energy: -55.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -724.878477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.878477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.878477 (E_RNA)
where:
Base-Base interactions energy: -488.980
where: short stacking energy: -214.585
Base-Backbone interact. energy: -1.906
local terms energy: -233.993004
where:
bonds (distance) C4'-P energy: -32.858
bonds (distance) P-C4' energy: -50.786
flat angles C4'-P-C4' energy: -52.871
flat angles P-C4'-P energy: -35.413
tors. eta vs tors. theta energy: -62.065
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: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -549.876896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.876896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.876896 (E_RNA)
where:
Base-Base interactions energy: -349.470
where: short stacking energy: -156.531
Base-Backbone interact. energy: -1.545
local terms energy: -198.861990
where:
bonds (distance) C4'-P energy: -45.340
bonds (distance) P-C4' energy: -42.016
flat angles C4'-P-C4' energy: -45.265
flat angles P-C4'-P energy: -25.724
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: 9, replica: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -385.545009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.545009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.545009 (E_RNA)
where:
Base-Base interactions energy: -219.196
where: short stacking energy: -113.626
Base-Backbone interact. energy: -1.209
local terms energy: -165.139619
where:
bonds (distance) C4'-P energy: -44.454
bonds (distance) P-C4' energy: -44.538
flat angles C4'-P-C4' energy: -44.119
flat angles P-C4'-P energy: -21.078
tors. eta vs tors. theta energy: -10.951
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: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -274.108122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.108122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.108122 (E_RNA)
where:
Base-Base interactions energy: -149.145
where: short stacking energy: -85.520
Base-Backbone interact. energy: 0.924
local terms energy: -125.886826
where:
bonds (distance) C4'-P energy: -33.727
bonds (distance) P-C4' energy: -40.916
flat angles C4'-P-C4' energy: -36.504
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -2.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -918.990803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.990803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.990803 (E_RNA)
where:
Base-Base interactions energy: -648.988
where: short stacking energy: -260.353
Base-Backbone interact. energy: -1.792
local terms energy: -268.210434
where:
bonds (distance) C4'-P energy: -49.845
bonds (distance) P-C4' energy: -45.174
flat angles C4'-P-C4' energy: -63.758
flat angles P-C4'-P energy: -36.195
tors. eta vs tors. theta energy: -73.238
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: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -909.506382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.506382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.506382 (E_RNA)
where:
Base-Base interactions energy: -627.897
where: short stacking energy: -262.086
Base-Backbone interact. energy: -1.954
local terms energy: -279.655245
where:
bonds (distance) C4'-P energy: -54.069
bonds (distance) P-C4' energy: -56.571
flat angles C4'-P-C4' energy: -55.797
flat angles P-C4'-P energy: -34.806
tors. eta vs tors. theta energy: -78.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -889.891155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.891155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.891155 (E_RNA)
where:
Base-Base interactions energy: -625.714
where: short stacking energy: -257.323
Base-Backbone interact. energy: -1.505
local terms energy: -262.672394
where:
bonds (distance) C4'-P energy: -48.093
bonds (distance) P-C4' energy: -54.713
flat angles C4'-P-C4' energy: -45.309
flat angles P-C4'-P energy: -40.122
tors. eta vs tors. theta energy: -74.436
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: 31
Temperature: 1.050000
Total energy: -836.770323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.770323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.770323 (E_RNA)
where:
Base-Base interactions energy: -568.735
where: short stacking energy: -260.359
Base-Backbone interact. energy: -1.909
local terms energy: -266.126359
where:
bonds (distance) C4'-P energy: -50.366
bonds (distance) P-C4' energy: -49.819
flat angles C4'-P-C4' energy: -50.844
flat angles P-C4'-P energy: -38.536
tors. eta vs tors. theta energy: -76.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -818.558862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.558862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.558862 (E_RNA)
where:
Base-Base interactions energy: -567.809
where: short stacking energy: -218.514
Base-Backbone interact. energy: -1.355
local terms energy: -249.394618
where:
bonds (distance) C4'-P energy: -47.076
bonds (distance) P-C4' energy: -48.434
flat angles C4'-P-C4' energy: -56.527
flat angles P-C4'-P energy: -39.143
tors. eta vs tors. theta energy: -58.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -735.816963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.816963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.816963 (E_RNA)
where:
Base-Base interactions energy: -503.242
where: short stacking energy: -232.863
Base-Backbone interact. energy: -0.406
local terms energy: -232.169071
where:
bonds (distance) C4'-P energy: -36.779
bonds (distance) P-C4' energy: -48.845
flat angles C4'-P-C4' energy: -49.834
flat angles P-C4'-P energy: -36.929
tors. eta vs tors. theta energy: -59.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -713.649864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.649864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.649864 (E_RNA)
where:
Base-Base interactions energy: -483.449
where: short stacking energy: -205.757
Base-Backbone interact. energy: -0.234
local terms energy: -229.966973
where:
bonds (distance) C4'-P energy: -51.793
bonds (distance) P-C4' energy: -37.511
flat angles C4'-P-C4' energy: -47.652
flat angles P-C4'-P energy: -30.045
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: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -506.657183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.657183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.657183 (E_RNA)
where:
Base-Base interactions energy: -314.866
where: short stacking energy: -154.330
Base-Backbone interact. energy: -0.483
local terms energy: -191.308049
where:
bonds (distance) C4'-P energy: -36.312
bonds (distance) P-C4' energy: -48.260
flat angles C4'-P-C4' energy: -43.812
flat angles P-C4'-P energy: -25.964
tors. eta vs tors. theta energy: -36.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -396.876549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.876549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.876549 (E_RNA)
where:
Base-Base interactions energy: -216.425
where: short stacking energy: -110.734
Base-Backbone interact. energy: 0.068
local terms energy: -180.519460
where:
bonds (distance) C4'-P energy: -48.633
bonds (distance) P-C4' energy: -38.917
flat angles C4'-P-C4' energy: -44.464
flat angles P-C4'-P energy: -23.844
tors. eta vs tors. theta energy: -24.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -291.928827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.928827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.928827 (E_RNA)
where:
Base-Base interactions energy: -129.498
where: short stacking energy: -78.875
Base-Backbone interact. energy: -1.098
local terms energy: -161.332716
where:
bonds (distance) C4'-P energy: -43.281
bonds (distance) P-C4' energy: -53.998
flat angles C4'-P-C4' energy: -43.348
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -3.702
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: 1, replica: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -925.896095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.896095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.896095 (E_RNA)
where:
Base-Base interactions energy: -638.307
where: short stacking energy: -243.698
Base-Backbone interact. energy: -1.874
local terms energy: -285.714554
where:
bonds (distance) C4'-P energy: -48.551
bonds (distance) P-C4' energy: -57.617
flat angles C4'-P-C4' energy: -58.230
flat angles P-C4'-P energy: -45.123
tors. eta vs tors. theta energy: -76.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -921.403761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.403761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.403761 (E_RNA)
where:
Base-Base interactions energy: -641.235
where: short stacking energy: -267.010
Base-Backbone interact. energy: 1.251
local terms energy: -281.419977
where:
bonds (distance) C4'-P energy: -50.987
bonds (distance) P-C4' energy: -57.587
flat angles C4'-P-C4' energy: -54.268
flat angles P-C4'-P energy: -43.967
tors. eta vs tors. theta energy: -74.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -902.945407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.945407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.945407 (E_RNA)
where:
Base-Base interactions energy: -627.220
where: short stacking energy: -252.120
Base-Backbone interact. energy: 1.417
local terms energy: -277.142892
where:
bonds (distance) C4'-P energy: -51.891
bonds (distance) P-C4' energy: -54.998
flat angles C4'-P-C4' energy: -54.154
flat angles P-C4'-P energy: -44.077
tors. eta vs tors. theta energy: -72.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -823.139371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.139371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.139371 (E_RNA)
where:
Base-Base interactions energy: -568.196
where: short stacking energy: -236.170
Base-Backbone interact. energy: 0.132
local terms energy: -255.075322
where:
bonds (distance) C4'-P energy: -49.783
bonds (distance) P-C4' energy: -53.254
flat angles C4'-P-C4' energy: -52.167
flat angles P-C4'-P energy: -30.369
tors. eta vs tors. theta energy: -69.503
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: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -794.881944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.881944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.881944 (E_RNA)
where:
Base-Base interactions energy: -526.642
where: short stacking energy: -228.603
Base-Backbone interact. energy: 0.646
local terms energy: -268.885907
where:
bonds (distance) C4'-P energy: -51.426
bonds (distance) P-C4' energy: -48.108
flat angles C4'-P-C4' energy: -55.256
flat angles P-C4'-P energy: -43.668
tors. eta vs tors. theta energy: -70.427
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: 6, replica: 1
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -783.045069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.045069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.045069 (E_RNA)
where:
Base-Base interactions energy: -559.140
where: short stacking energy: -219.198
Base-Backbone interact. energy: -3.223
local terms energy: -220.681611
where:
bonds (distance) C4'-P energy: -47.846
bonds (distance) P-C4' energy: -25.665
flat angles C4'-P-C4' energy: -52.527
flat angles P-C4'-P energy: -35.228
tors. eta vs tors. theta energy: -59.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -700.449384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.449384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.449384 (E_RNA)
where:
Base-Base interactions energy: -462.437
where: short stacking energy: -196.019
Base-Backbone interact. energy: 1.098
local terms energy: -239.110012
where:
bonds (distance) C4'-P energy: -50.807
bonds (distance) P-C4' energy: -52.189
flat angles C4'-P-C4' energy: -44.184
flat angles P-C4'-P energy: -32.296
tors. eta vs tors. theta energy: -59.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -500.433941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.433941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.433941 (E_RNA)
where:
Base-Base interactions energy: -296.690
where: short stacking energy: -138.990
Base-Backbone interact. energy: 0.322
local terms energy: -204.065677
where:
bonds (distance) C4'-P energy: -43.733
bonds (distance) P-C4' energy: -50.434
flat angles C4'-P-C4' energy: -51.233
flat angles P-C4'-P energy: -34.913
tors. eta vs tors. theta energy: -23.752
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: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -401.233609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.233609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.233609 (E_RNA)
where:
Base-Base interactions energy: -227.754
where: short stacking energy: -107.759
Base-Backbone interact. energy: -0.581
local terms energy: -172.898085
where:
bonds (distance) C4'-P energy: -38.041
bonds (distance) P-C4' energy: -36.760
flat angles C4'-P-C4' energy: -48.956
flat angles P-C4'-P energy: -31.243
tors. eta vs tors. theta energy: -17.898
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: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -265.622945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.622945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.622945 (E_RNA)
where:
Base-Base interactions energy: -113.077
where: short stacking energy: -67.574
Base-Backbone interact. energy: 2.330
local terms energy: -154.876402
where:
bonds (distance) C4'-P energy: -42.356
bonds (distance) P-C4' energy: -51.921
flat angles C4'-P-C4' energy: -45.234
flat angles P-C4'-P energy: -20.794
tors. eta vs tors. theta energy: 5.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -929.624572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.624572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.624572 (E_RNA)
where:
Base-Base interactions energy: -638.603
where: short stacking energy: -261.330
Base-Backbone interact. energy: 0.854
local terms energy: -291.874918
where:
bonds (distance) C4'-P energy: -55.344
bonds (distance) P-C4' energy: -52.838
flat angles C4'-P-C4' energy: -58.396
flat angles P-C4'-P energy: -44.638
tors. eta vs tors. theta energy: -80.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -892.977262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.977262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.977262 (E_RNA)
where:
Base-Base interactions energy: -636.598
where: short stacking energy: -247.327
Base-Backbone interact. energy: -0.980
local terms energy: -255.399889
where:
bonds (distance) C4'-P energy: -46.954
bonds (distance) P-C4' energy: -53.144
flat angles C4'-P-C4' energy: -54.787
flat angles P-C4'-P energy: -31.957
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: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -916.264962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.264962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.264962 (E_RNA)
where:
Base-Base interactions energy: -636.515
where: short stacking energy: -247.242
Base-Backbone interact. energy: -1.459
local terms energy: -278.290949
where:
bonds (distance) C4'-P energy: -46.709
bonds (distance) P-C4' energy: -59.799
flat angles C4'-P-C4' energy: -57.034
flat angles P-C4'-P energy: -37.224
tors. eta vs tors. theta energy: -77.525
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: 4, replica: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -797.040753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.040753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.040753 (E_RNA)
where:
Base-Base interactions energy: -541.349
where: short stacking energy: -236.216
Base-Backbone interact. energy: 0.468
local terms energy: -256.159553
where:
bonds (distance) C4'-P energy: -52.824
bonds (distance) P-C4' energy: -48.824
flat angles C4'-P-C4' energy: -48.576
flat angles P-C4'-P energy: -36.370
tors. eta vs tors. theta energy: -69.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -823.805305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.805305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.805305 (E_RNA)
where:
Base-Base interactions energy: -569.986
where: short stacking energy: -243.272
Base-Backbone interact. energy: -1.741
local terms energy: -252.078170
where:
bonds (distance) C4'-P energy: -45.276
bonds (distance) P-C4' energy: -47.915
flat angles C4'-P-C4' energy: -53.661
flat angles P-C4'-P energy: -36.027
tors. eta vs tors. theta energy: -69.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -774.679035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.679035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.679035 (E_RNA)
where:
Base-Base interactions energy: -535.701
where: short stacking energy: -204.921
Base-Backbone interact. energy: 0.275
local terms energy: -239.253059
where:
bonds (distance) C4'-P energy: -45.615
bonds (distance) P-C4' energy: -53.932
flat angles C4'-P-C4' energy: -56.064
flat angles P-C4'-P energy: -27.904
tors. eta vs tors. theta energy: -55.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -686.756014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.756014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.756014 (E_RNA)
where:
Base-Base interactions energy: -449.889
where: short stacking energy: -195.483
Base-Backbone interact. energy: -0.971
local terms energy: -235.896162
where:
bonds (distance) C4'-P energy: -48.916
bonds (distance) P-C4' energy: -49.096
flat angles C4'-P-C4' energy: -52.003
flat angles P-C4'-P energy: -31.798
tors. eta vs tors. theta energy: -54.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -477.725069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.725069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.725069 (E_RNA)
where:
Base-Base interactions energy: -293.280
where: short stacking energy: -144.692
Base-Backbone interact. energy: 2.586
local terms energy: -187.031631
where:
bonds (distance) C4'-P energy: -47.062
bonds (distance) P-C4' energy: -45.523
flat angles C4'-P-C4' energy: -48.693
flat angles P-C4'-P energy: -20.986
tors. eta vs tors. theta energy: -24.768
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: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -502.685629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.685629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.685629 (E_RNA)
where:
Base-Base interactions energy: -301.663
where: short stacking energy: -131.335
Base-Backbone interact. energy: -0.664
local terms energy: -200.359227
where:
bonds (distance) C4'-P energy: -44.864
bonds (distance) P-C4' energy: -49.192
flat angles C4'-P-C4' energy: -42.115
flat angles P-C4'-P energy: -35.742
tors. eta vs tors. theta energy: -28.446
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: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -242.650640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.650640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.650640 (E_RNA)
where:
Base-Base interactions energy: -99.948
where: short stacking energy: -74.035
Base-Backbone interact. energy: -0.769
local terms energy: -141.933580
where:
bonds (distance) C4'-P energy: -32.568
bonds (distance) P-C4' energy: -49.743
flat angles C4'-P-C4' energy: -39.445
flat angles P-C4'-P energy: -23.441
tors. eta vs tors. theta energy: 3.263
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: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -928.754867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.754867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.754867 (E_RNA)
where:
Base-Base interactions energy: -635.754
where: short stacking energy: -258.656
Base-Backbone interact. energy: 0.250
local terms energy: -293.251009
where:
bonds (distance) C4'-P energy: -55.316
bonds (distance) P-C4' energy: -55.950
flat angles C4'-P-C4' energy: -62.862
flat angles P-C4'-P energy: -44.813
tors. eta vs tors. theta energy: -74.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -906.560238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.560238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.560238 (E_RNA)
where:
Base-Base interactions energy: -633.827
where: short stacking energy: -249.886
Base-Backbone interact. energy: -0.112
local terms energy: -272.621234
where:
bonds (distance) C4'-P energy: -54.528
bonds (distance) P-C4' energy: -54.613
flat angles C4'-P-C4' energy: -56.360
flat angles P-C4'-P energy: -39.116
tors. eta vs tors. theta energy: -68.004
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: 5
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -906.290977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.290977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.290977 (E_RNA)
where:
Base-Base interactions energy: -631.894
where: short stacking energy: -253.682
Base-Backbone interact. energy: 0.106
local terms energy: -274.502191
where:
bonds (distance) C4'-P energy: -49.164
bonds (distance) P-C4' energy: -45.152
flat angles C4'-P-C4' energy: -62.262
flat angles P-C4'-P energy: -44.139
tors. eta vs tors. theta energy: -73.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -822.600716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.600716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.600716 (E_RNA)
where:
Base-Base interactions energy: -559.838
where: short stacking energy: -248.796
Base-Backbone interact. energy: -0.623
local terms energy: -262.139981
where:
bonds (distance) C4'-P energy: -43.156
bonds (distance) P-C4' energy: -51.795
flat angles C4'-P-C4' energy: -56.651
flat angles P-C4'-P energy: -39.963
tors. eta vs tors. theta energy: -70.575
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: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -771.559602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.559602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.559602 (E_RNA)
where:
Base-Base interactions energy: -531.896
where: short stacking energy: -216.900
Base-Backbone interact. energy: -1.337
local terms energy: -238.327090
where:
bonds (distance) C4'-P energy: -44.580
bonds (distance) P-C4' energy: -43.706
flat angles C4'-P-C4' energy: -48.963
flat angles P-C4'-P energy: -35.439
tors. eta vs tors. theta energy: -65.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -785.533527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.533527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.533527 (E_RNA)
where:
Base-Base interactions energy: -545.367
where: short stacking energy: -247.911
Base-Backbone interact. energy: -0.487
local terms energy: -239.679879
where:
bonds (distance) C4'-P energy: -42.137
bonds (distance) P-C4' energy: -43.971
flat angles C4'-P-C4' energy: -52.003
flat angles P-C4'-P energy: -29.139
tors. eta vs tors. theta energy: -72.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -677.588485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.588485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.588485 (E_RNA)
where:
Base-Base interactions energy: -446.386
where: short stacking energy: -200.471
Base-Backbone interact. energy: -1.783
local terms energy: -229.419044
where:
bonds (distance) C4'-P energy: -40.916
bonds (distance) P-C4' energy: -50.118
flat angles C4'-P-C4' energy: -53.599
flat angles P-C4'-P energy: -32.149
tors. eta vs tors. theta energy: -52.636
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: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -459.019630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.019630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.019630 (E_RNA)
where:
Base-Base interactions energy: -275.614
where: short stacking energy: -142.358
Base-Backbone interact. energy: 6.737
local terms energy: -190.142476
where:
bonds (distance) C4'-P energy: -53.999
bonds (distance) P-C4' energy: -46.355
flat angles C4'-P-C4' energy: -37.638
flat angles P-C4'-P energy: -30.440
tors. eta vs tors. theta energy: -21.710
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: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -472.066604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.066604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.066604 (E_RNA)
where:
Base-Base interactions energy: -286.299
where: short stacking energy: -123.472
Base-Backbone interact. energy: -1.408
local terms energy: -184.360318
where:
bonds (distance) C4'-P energy: -48.597
bonds (distance) P-C4' energy: -58.787
flat angles C4'-P-C4' energy: -38.029
flat angles P-C4'-P energy: -24.368
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -231.009049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.009049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.009049 (E_RNA)
where:
Base-Base interactions energy: -96.375
where: short stacking energy: -54.636
Base-Backbone interact. energy: 2.009
local terms energy: -136.643713
where:
bonds (distance) C4'-P energy: -36.187
bonds (distance) P-C4' energy: -45.671
flat angles C4'-P-C4' energy: -34.147
flat angles P-C4'-P energy: -21.752
tors. eta vs tors. theta energy: 1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -938.645981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.645981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.645981 (E_RNA)
where:
Base-Base interactions energy: -649.088
where: short stacking energy: -259.725
Base-Backbone interact. energy: -2.527
local terms energy: -287.031594
where:
bonds (distance) C4'-P energy: -54.432
bonds (distance) P-C4' energy: -46.918
flat angles C4'-P-C4' energy: -62.982
flat angles P-C4'-P energy: -43.046
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: 2, replica: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -900.618947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.618947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.618947 (E_RNA)
where:
Base-Base interactions energy: -631.075
where: short stacking energy: -254.124
Base-Backbone interact. energy: -3.365
local terms energy: -266.178834
where:
bonds (distance) C4'-P energy: -43.891
bonds (distance) P-C4' energy: -54.876
flat angles C4'-P-C4' energy: -60.937
flat angles P-C4'-P energy: -37.224
tors. eta vs tors. theta energy: -69.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -919.621747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.621747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.621747 (E_RNA)
where:
Base-Base interactions energy: -646.783
where: short stacking energy: -254.730
Base-Backbone interact. energy: -0.295
local terms energy: -272.544647
where:
bonds (distance) C4'-P energy: -52.842
bonds (distance) P-C4' energy: -53.821
flat angles C4'-P-C4' energy: -50.747
flat angles P-C4'-P energy: -43.381
tors. eta vs tors. theta energy: -71.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -817.486517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.486517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.486517 (E_RNA)
where:
Base-Base interactions energy: -536.638
where: short stacking energy: -218.910
Base-Backbone interact. energy: -1.395
local terms energy: -279.453990
where:
bonds (distance) C4'-P energy: -52.617
bonds (distance) P-C4' energy: -56.982
flat angles C4'-P-C4' energy: -58.178
flat angles P-C4'-P energy: -40.919
tors. eta vs tors. theta energy: -70.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -776.690053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.690053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.690053 (E_RNA)
where:
Base-Base interactions energy: -534.332
where: short stacking energy: -230.298
Base-Backbone interact. energy: -1.559
local terms energy: -240.799016
where:
bonds (distance) C4'-P energy: -53.499
bonds (distance) P-C4' energy: -40.174
flat angles C4'-P-C4' energy: -51.020
flat angles P-C4'-P energy: -32.492
tors. eta vs tors. theta energy: -63.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -771.228867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.228867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.228867 (E_RNA)
where:
Base-Base interactions energy: -514.614
where: short stacking energy: -203.433
Base-Backbone interact. energy: -2.155
local terms energy: -254.460186
where:
bonds (distance) C4'-P energy: -51.284
bonds (distance) P-C4' energy: -48.508
flat angles C4'-P-C4' energy: -59.031
flat angles P-C4'-P energy: -33.221
tors. eta vs tors. theta energy: -62.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -692.853318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.853318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.853318 (E_RNA)
where:
Base-Base interactions energy: -455.807
where: short stacking energy: -200.434
Base-Backbone interact. energy: 0.721
local terms energy: -237.767184
where:
bonds (distance) C4'-P energy: -52.282
bonds (distance) P-C4' energy: -43.400
flat angles C4'-P-C4' energy: -50.909
flat angles P-C4'-P energy: -33.086
tors. eta vs tors. theta energy: -58.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -469.433819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.433819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.433819 (E_RNA)
where:
Base-Base interactions energy: -277.901
where: short stacking energy: -137.980
Base-Backbone interact. energy: -1.023
local terms energy: -190.509660
where:
bonds (distance) C4'-P energy: -48.559
bonds (distance) P-C4' energy: -35.102
flat angles C4'-P-C4' energy: -46.394
flat angles P-C4'-P energy: -33.223
tors. eta vs tors. theta energy: -27.232
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: 35
Temperature: 1.300000
Total energy: -454.420551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.420551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.420551 (E_RNA)
where:
Base-Base interactions energy: -260.017
where: short stacking energy: -130.141
Base-Backbone interact. energy: -1.052
local terms energy: -193.352003
where:
bonds (distance) C4'-P energy: -50.305
bonds (distance) P-C4' energy: -48.777
flat angles C4'-P-C4' energy: -43.017
flat angles P-C4'-P energy: -29.927
tors. eta vs tors. theta energy: -21.327
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: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -229.638692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.638692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.638692 (E_RNA)
where:
Base-Base interactions energy: -84.931
where: short stacking energy: -74.868
Base-Backbone interact. energy: -1.892
local terms energy: -142.815860
where:
bonds (distance) C4'-P energy: -38.732
bonds (distance) P-C4' energy: -48.218
flat angles C4'-P-C4' energy: -36.904
flat angles P-C4'-P energy: -27.010
tors. eta vs tors. theta energy: 8.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -945.233954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.233954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.233954 (E_RNA)
where:
Base-Base interactions energy: -654.252
where: short stacking energy: -269.367
Base-Backbone interact. energy: -3.279
local terms energy: -287.703358
where:
bonds (distance) C4'-P energy: -55.851
bonds (distance) P-C4' energy: -54.790
flat angles C4'-P-C4' energy: -54.653
flat angles P-C4'-P energy: -44.791
tors. eta vs tors. theta energy: -77.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -910.068613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.068613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.068613 (E_RNA)
where:
Base-Base interactions energy: -636.217
where: short stacking energy: -257.381
Base-Backbone interact. energy: 0.142
local terms energy: -273.993414
where:
bonds (distance) C4'-P energy: -49.943
bonds (distance) P-C4' energy: -48.861
flat angles C4'-P-C4' energy: -59.289
flat angles P-C4'-P energy: -38.343
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: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -903.909280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.909280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.909280 (E_RNA)
where:
Base-Base interactions energy: -651.651
where: short stacking energy: -251.704
Base-Backbone interact. energy: -2.101
local terms energy: -250.156508
where:
bonds (distance) C4'-P energy: -47.386
bonds (distance) P-C4' energy: -41.234
flat angles C4'-P-C4' energy: -48.222
flat angles P-C4'-P energy: -39.125
tors. eta vs tors. theta energy: -74.190
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: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -819.866137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.866137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.866137 (E_RNA)
where:
Base-Base interactions energy: -564.505
where: short stacking energy: -222.443
Base-Backbone interact. energy: -1.668
local terms energy: -253.692607
where:
bonds (distance) C4'-P energy: -43.287
bonds (distance) P-C4' energy: -57.720
flat angles C4'-P-C4' energy: -52.979
flat angles P-C4'-P energy: -30.440
tors. eta vs tors. theta energy: -69.267
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: 4
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -781.159706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.159706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.159706 (E_RNA)
where:
Base-Base interactions energy: -528.758
where: short stacking energy: -219.741
Base-Backbone interact. energy: -0.603
local terms energy: -251.798060
where:
bonds (distance) C4'-P energy: -49.232
bonds (distance) P-C4' energy: -51.688
flat angles C4'-P-C4' energy: -49.675
flat angles P-C4'-P energy: -35.408
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: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -733.593627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.593627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.593627 (E_RNA)
where:
Base-Base interactions energy: -488.120
where: short stacking energy: -214.762
Base-Backbone interact. energy: -1.310
local terms energy: -244.163766
where:
bonds (distance) C4'-P energy: -46.522
bonds (distance) P-C4' energy: -47.078
flat angles C4'-P-C4' energy: -53.194
flat angles P-C4'-P energy: -34.546
tors. eta vs tors. theta energy: -62.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -698.414940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.414940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.414940 (E_RNA)
where:
Base-Base interactions energy: -484.663
where: short stacking energy: -191.098
Base-Backbone interact. energy: 0.130
local terms energy: -213.881587
where:
bonds (distance) C4'-P energy: -34.198
bonds (distance) P-C4' energy: -47.165
flat angles C4'-P-C4' energy: -57.131
flat angles P-C4'-P energy: -24.984
tors. eta vs tors. theta energy: -50.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -466.142952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.142952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.142952 (E_RNA)
where:
Base-Base interactions energy: -265.249
where: short stacking energy: -131.120
Base-Backbone interact. energy: -0.445
local terms energy: -200.449254
where:
bonds (distance) C4'-P energy: -48.234
bonds (distance) P-C4' energy: -53.928
flat angles C4'-P-C4' energy: -45.975
flat angles P-C4'-P energy: -28.657
tors. eta vs tors. theta energy: -23.655
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: 9, replica: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -410.350471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.350471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.350471 (E_RNA)
where:
Base-Base interactions energy: -251.742
where: short stacking energy: -126.559
Base-Backbone interact. energy: -0.280
local terms energy: -158.328557
where:
bonds (distance) C4'-P energy: -32.230
bonds (distance) P-C4' energy: -39.323
flat angles C4'-P-C4' energy: -38.705
flat angles P-C4'-P energy: -29.897
tors. eta vs tors. theta energy: -18.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -219.440814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.440814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.440814 (E_RNA)
where:
Base-Base interactions energy: -78.254
where: short stacking energy: -72.754
Base-Backbone interact. energy: -1.479
local terms energy: -139.707693
where:
bonds (distance) C4'-P energy: -34.928
bonds (distance) P-C4' energy: -32.091
flat angles C4'-P-C4' energy: -46.463
flat angles P-C4'-P energy: -25.936
tors. eta vs tors. theta energy: -0.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -932.167047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.167047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.167047 (E_RNA)
where:
Base-Base interactions energy: -643.372
where: short stacking energy: -262.192
Base-Backbone interact. energy: -1.389
local terms energy: -287.406619
where:
bonds (distance) C4'-P energy: -44.125
bonds (distance) P-C4' energy: -55.820
flat angles C4'-P-C4' energy: -66.767
flat angles P-C4'-P energy: -45.732
tors. eta vs tors. theta energy: -74.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -924.064425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.064425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.064425 (E_RNA)
where:
Base-Base interactions energy: -639.690
where: short stacking energy: -257.271
Base-Backbone interact. energy: -0.282
local terms energy: -284.091624
where:
bonds (distance) C4'-P energy: -49.767
bonds (distance) P-C4' energy: -59.492
flat angles C4'-P-C4' energy: -58.586
flat angles P-C4'-P energy: -39.092
tors. eta vs tors. theta energy: -77.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -896.509713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.509713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.509713 (E_RNA)
where:
Base-Base interactions energy: -626.499
where: short stacking energy: -258.452
Base-Backbone interact. energy: -0.942
local terms energy: -269.068800
where:
bonds (distance) C4'-P energy: -54.849
bonds (distance) P-C4' energy: -46.067
flat angles C4'-P-C4' energy: -61.742
flat angles P-C4'-P energy: -30.101
tors. eta vs tors. theta energy: -76.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -825.662425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.662425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.662425 (E_RNA)
where:
Base-Base interactions energy: -553.370
where: short stacking energy: -237.195
Base-Backbone interact. energy: 1.117
local terms energy: -273.409593
where:
bonds (distance) C4'-P energy: -46.601
bonds (distance) P-C4' energy: -50.248
flat angles C4'-P-C4' energy: -59.142
flat angles P-C4'-P energy: -43.238
tors. eta vs tors. theta energy: -74.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -799.616338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.616338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.616338 (E_RNA)
where:
Base-Base interactions energy: -549.868
where: short stacking energy: -222.646
Base-Backbone interact. energy: -1.680
local terms energy: -248.068592
where:
bonds (distance) C4'-P energy: -41.506
bonds (distance) P-C4' energy: -41.861
flat angles C4'-P-C4' energy: -55.686
flat angles P-C4'-P energy: -40.696
tors. eta vs tors. theta energy: -68.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -757.671281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.671281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.671281 (E_RNA)
where:
Base-Base interactions energy: -520.541
where: short stacking energy: -240.359
Base-Backbone interact. energy: -0.213
local terms energy: -236.917047
where:
bonds (distance) C4'-P energy: -39.293
bonds (distance) P-C4' energy: -48.332
flat angles C4'-P-C4' energy: -48.155
flat angles P-C4'-P energy: -32.698
tors. eta vs tors. theta energy: -68.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -691.369920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.369920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.369920 (E_RNA)
where:
Base-Base interactions energy: -454.093
where: short stacking energy: -203.289
Base-Backbone interact. energy: 1.167
local terms energy: -238.444336
where:
bonds (distance) C4'-P energy: -55.273
bonds (distance) P-C4' energy: -44.509
flat angles C4'-P-C4' energy: -49.112
flat angles P-C4'-P energy: -32.353
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: 8, replica: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -496.456354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.456354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.456354 (E_RNA)
where:
Base-Base interactions energy: -300.758
where: short stacking energy: -144.196
Base-Backbone interact. energy: -1.445
local terms energy: -194.252840
where:
bonds (distance) C4'-P energy: -32.422
bonds (distance) P-C4' energy: -46.800
flat angles C4'-P-C4' energy: -53.826
flat angles P-C4'-P energy: -26.689
tors. eta vs tors. theta energy: -34.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -418.876780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.876780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.876780 (E_RNA)
where:
Base-Base interactions energy: -235.443
where: short stacking energy: -109.606
Base-Backbone interact. energy: -0.705
local terms energy: -182.729560
where:
bonds (distance) C4'-P energy: -45.760
bonds (distance) P-C4' energy: -44.365
flat angles C4'-P-C4' energy: -45.589
flat angles P-C4'-P energy: -31.459
tors. eta vs tors. theta energy: -15.557
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: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -242.132838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.132838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.132838 (E_RNA)
where:
Base-Base interactions energy: -71.332
where: short stacking energy: -54.816
Base-Backbone interact. energy: -2.012
local terms energy: -168.789061
where:
bonds (distance) C4'-P energy: -48.953
bonds (distance) P-C4' energy: -48.010
flat angles C4'-P-C4' energy: -38.424
flat angles P-C4'-P energy: -34.507
tors. eta vs tors. theta energy: 1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -942.475912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.475912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.475912 (E_RNA)
where:
Base-Base interactions energy: -659.372
where: short stacking energy: -257.199
Base-Backbone interact. energy: -4.401
local terms energy: -278.703461
where:
bonds (distance) C4'-P energy: -57.532
bonds (distance) P-C4' energy: -55.291
flat angles C4'-P-C4' energy: -55.537
flat angles P-C4'-P energy: -34.359
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: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -925.421454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.421454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.421454 (E_RNA)
where:
Base-Base interactions energy: -655.617
where: short stacking energy: -271.944
Base-Backbone interact. energy: -2.077
local terms energy: -267.728414
where:
bonds (distance) C4'-P energy: -44.617
bonds (distance) P-C4' energy: -41.506
flat angles C4'-P-C4' energy: -58.242
flat angles P-C4'-P energy: -44.390
tors. eta vs tors. theta energy: -78.973
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: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -904.365666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.365666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.365666 (E_RNA)
where:
Base-Base interactions energy: -615.358
where: short stacking energy: -250.778
Base-Backbone interact. energy: -1.534
local terms energy: -287.473392
where:
bonds (distance) C4'-P energy: -52.573
bonds (distance) P-C4' energy: -57.125
flat angles C4'-P-C4' energy: -58.075
flat angles P-C4'-P energy: -42.795
tors. eta vs tors. theta energy: -76.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -801.643901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.643901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.643901 (E_RNA)
where:
Base-Base interactions energy: -542.805
where: short stacking energy: -245.787
Base-Backbone interact. energy: -0.764
local terms energy: -258.074714
where:
bonds (distance) C4'-P energy: -44.422
bonds (distance) P-C4' energy: -51.566
flat angles C4'-P-C4' energy: -47.651
flat angles P-C4'-P energy: -37.255
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: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -761.600517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.600517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.600517 (E_RNA)
where:
Base-Base interactions energy: -506.574
where: short stacking energy: -216.471
Base-Backbone interact. energy: -1.404
local terms energy: -253.622250
where:
bonds (distance) C4'-P energy: -49.525
bonds (distance) P-C4' energy: -50.839
flat angles C4'-P-C4' energy: -54.374
flat angles P-C4'-P energy: -35.487
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: 6, replica: 1
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -763.066669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.066669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.066669 (E_RNA)
where:
Base-Base interactions energy: -524.215
where: short stacking energy: -214.839
Base-Backbone interact. energy: -1.622
local terms energy: -237.229961
where:
bonds (distance) C4'-P energy: -41.173
bonds (distance) P-C4' energy: -55.650
flat angles C4'-P-C4' energy: -52.024
flat angles P-C4'-P energy: -28.350
tors. eta vs tors. theta energy: -60.033
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: 38
Temperature: 1.200000
Total energy: -667.549921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.549921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.549921 (E_RNA)
where:
Base-Base interactions energy: -434.066
where: short stacking energy: -178.904
Base-Backbone interact. energy: 0.868
local terms energy: -234.352246
where:
bonds (distance) C4'-P energy: -41.824
bonds (distance) P-C4' energy: -55.953
flat angles C4'-P-C4' energy: -46.008
flat angles P-C4'-P energy: -35.467
tors. eta vs tors. theta energy: -55.100
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: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -524.785938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.785938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.785938 (E_RNA)
where:
Base-Base interactions energy: -322.978
where: short stacking energy: -145.241
Base-Backbone interact. energy: -1.030
local terms energy: -200.778575
where:
bonds (distance) C4'-P energy: -45.749
bonds (distance) P-C4' energy: -56.733
flat angles C4'-P-C4' energy: -41.934
flat angles P-C4'-P energy: -32.784
tors. eta vs tors. theta energy: -23.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -250.075983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.075983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.075983 (E_RNA)
where:
Base-Base interactions energy: -109.949
where: short stacking energy: -95.292
Base-Backbone interact. energy: 2.490
local terms energy: -142.616510
where:
bonds (distance) C4'-P energy: -34.963
bonds (distance) P-C4' energy: -50.365
flat angles C4'-P-C4' energy: -32.813
flat angles P-C4'-P energy: -28.926
tors. eta vs tors. theta energy: 4.450
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: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -331.112931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.112931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.112931 (E_RNA)
where:
Base-Base interactions energy: -171.829
where: short stacking energy: -89.156
Base-Backbone interact. energy: -1.564
local terms energy: -157.719768
where:
bonds (distance) C4'-P energy: -46.683
bonds (distance) P-C4' energy: -38.870
flat angles C4'-P-C4' energy: -44.940
flat angles P-C4'-P energy: -27.360
tors. eta vs tors. theta energy: 0.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -933.630668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.630668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.630668 (E_RNA)
where:
Base-Base interactions energy: -656.030
where: short stacking energy: -260.289
Base-Backbone interact. energy: -0.957
local terms energy: -276.643312
where:
bonds (distance) C4'-P energy: -46.462
bonds (distance) P-C4' energy: -54.325
flat angles C4'-P-C4' energy: -61.984
flat angles P-C4'-P energy: -34.125
tors. eta vs tors. theta energy: -79.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -919.261208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.261208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.261208 (E_RNA)
where:
Base-Base interactions energy: -636.100
where: short stacking energy: -264.404
Base-Backbone interact. energy: -0.138
local terms energy: -283.023310
where:
bonds (distance) C4'-P energy: -51.331
bonds (distance) P-C4' energy: -52.272
flat angles C4'-P-C4' energy: -59.021
flat angles P-C4'-P energy: -41.927
tors. eta vs tors. theta energy: -78.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -905.790673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.790673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.790673 (E_RNA)
where:
Base-Base interactions energy: -642.947
where: short stacking energy: -263.004
Base-Backbone interact. energy: -0.327
local terms energy: -262.516203
where:
bonds (distance) C4'-P energy: -43.762
bonds (distance) P-C4' energy: -48.797
flat angles C4'-P-C4' energy: -57.948
flat angles P-C4'-P energy: -37.489
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: 4
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -831.898280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.898280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.898280 (E_RNA)
where:
Base-Base interactions energy: -566.621
where: short stacking energy: -245.627
Base-Backbone interact. energy: -0.067
local terms energy: -265.210338
where:
bonds (distance) C4'-P energy: -43.428
bonds (distance) P-C4' energy: -49.199
flat angles C4'-P-C4' energy: -60.799
flat angles P-C4'-P energy: -40.990
tors. eta vs tors. theta energy: -70.794
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: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -785.201735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.201735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.201735 (E_RNA)
where:
Base-Base interactions energy: -525.947
where: short stacking energy: -221.980
Base-Backbone interact. energy: -0.143
local terms energy: -259.112044
where:
bonds (distance) C4'-P energy: -48.955
bonds (distance) P-C4' energy: -50.165
flat angles C4'-P-C4' energy: -58.272
flat angles P-C4'-P energy: -42.207
tors. eta vs tors. theta energy: -59.513
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: 1
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -766.492511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.492511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.492511 (E_RNA)
where:
Base-Base interactions energy: -539.643
where: short stacking energy: -220.166
Base-Backbone interact. energy: -2.235
local terms energy: -224.614455
where:
bonds (distance) C4'-P energy: -32.803
bonds (distance) P-C4' energy: -50.758
flat angles C4'-P-C4' energy: -45.712
flat angles P-C4'-P energy: -42.305
tors. eta vs tors. theta energy: -53.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -682.329795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.329795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.329795 (E_RNA)
where:
Base-Base interactions energy: -447.933
where: short stacking energy: -181.564
Base-Backbone interact. energy: 5.460
local terms energy: -239.856637
where:
bonds (distance) C4'-P energy: -46.724
bonds (distance) P-C4' energy: -52.727
flat angles C4'-P-C4' energy: -51.460
flat angles P-C4'-P energy: -37.643
tors. eta vs tors. theta energy: -51.303
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: 39
Temperature: 1.250000
Total energy: -535.684930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.684930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.684930 (E_RNA)
where:
Base-Base interactions energy: -332.303
where: short stacking energy: -161.245
Base-Backbone interact. energy: 0.514
local terms energy: -203.895048
where:
bonds (distance) C4'-P energy: -43.260
bonds (distance) P-C4' energy: -42.324
flat angles C4'-P-C4' energy: -46.689
flat angles P-C4'-P energy: -34.037
tors. eta vs tors. theta energy: -37.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -246.027946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.027946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.027946 (E_RNA)
where:
Base-Base interactions energy: -89.007
where: short stacking energy: -61.810
Base-Backbone interact. energy: -1.939
local terms energy: -155.082009
where:
bonds (distance) C4'-P energy: -47.361
bonds (distance) P-C4' energy: -45.370
flat angles C4'-P-C4' energy: -41.163
flat angles P-C4'-P energy: -24.232
tors. eta vs tors. theta energy: 3.044
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: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -300.156744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.156744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.156744 (E_RNA)
where:
Base-Base interactions energy: -140.370
where: short stacking energy: -75.351
Base-Backbone interact. energy: -1.453
local terms energy: -158.333685
where:
bonds (distance) C4'-P energy: -48.913
bonds (distance) P-C4' energy: -48.123
flat angles C4'-P-C4' energy: -31.266
flat angles P-C4'-P energy: -25.619
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -926.545298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.545298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.545298 (E_RNA)
where:
Base-Base interactions energy: -639.291
where: short stacking energy: -265.007
Base-Backbone interact. energy: -1.106
local terms energy: -286.148895
where:
bonds (distance) C4'-P energy: -57.509
bonds (distance) P-C4' energy: -54.822
flat angles C4'-P-C4' energy: -57.951
flat angles P-C4'-P energy: -37.025
tors. eta vs tors. theta energy: -78.842
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: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -946.835471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.835471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.835471 (E_RNA)
where:
Base-Base interactions energy: -654.195
where: short stacking energy: -262.000
Base-Backbone interact. energy: -1.083
local terms energy: -291.556810
where:
bonds (distance) C4'-P energy: -63.181
bonds (distance) P-C4' energy: -47.992
flat angles C4'-P-C4' energy: -59.087
flat angles P-C4'-P energy: -43.707
tors. eta vs tors. theta energy: -77.591
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: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -851.660294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.660294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.660294 (E_RNA)
where:
Base-Base interactions energy: -598.983
where: short stacking energy: -239.043
Base-Backbone interact. energy: -1.408
local terms energy: -251.269279
where:
bonds (distance) C4'-P energy: -47.259
bonds (distance) P-C4' energy: -53.056
flat angles C4'-P-C4' energy: -49.392
flat angles P-C4'-P energy: -38.487
tors. eta vs tors. theta energy: -63.076
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: 40
Temperature: 1.050000
Total energy: -829.858369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.858369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.858369 (E_RNA)
where:
Base-Base interactions energy: -553.976
where: short stacking energy: -238.655
Base-Backbone interact. energy: -2.141
local terms energy: -273.741572
where:
bonds (distance) C4'-P energy: -50.263
bonds (distance) P-C4' energy: -53.775
flat angles C4'-P-C4' energy: -59.503
flat angles P-C4'-P energy: -41.344
tors. eta vs tors. theta energy: -68.856
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: 7
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -760.449206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.449206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.449206 (E_RNA)
where:
Base-Base interactions energy: -511.838
where: short stacking energy: -227.369
Base-Backbone interact. energy: -1.393
local terms energy: -247.218920
where:
bonds (distance) C4'-P energy: -49.328
bonds (distance) P-C4' energy: -44.174
flat angles C4'-P-C4' energy: -60.819
flat angles P-C4'-P energy: -32.278
tors. eta vs tors. theta energy: -60.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -787.592691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.592691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.592691 (E_RNA)
where:
Base-Base interactions energy: -561.071
where: short stacking energy: -230.503
Base-Backbone interact. energy: -1.751
local terms energy: -224.770952
where:
bonds (distance) C4'-P energy: -44.632
bonds (distance) P-C4' energy: -43.285
flat angles C4'-P-C4' energy: -52.869
flat angles P-C4'-P energy: -28.421
tors. eta vs tors. theta energy: -55.564
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: 6
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -695.244497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.244497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.244497 (E_RNA)
where:
Base-Base interactions energy: -438.073
where: short stacking energy: -195.390
Base-Backbone interact. energy: 2.884
local terms energy: -260.055839
where:
bonds (distance) C4'-P energy: -55.951
bonds (distance) P-C4' energy: -50.251
flat angles C4'-P-C4' energy: -53.477
flat angles P-C4'-P energy: -38.319
tors. eta vs tors. theta energy: -62.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -480.680198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.680198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.680198 (E_RNA)
where:
Base-Base interactions energy: -306.304
where: short stacking energy: -150.864
Base-Backbone interact. energy: 0.937
local terms energy: -175.313140
where:
bonds (distance) C4'-P energy: -43.712
bonds (distance) P-C4' energy: -37.015
flat angles C4'-P-C4' energy: -45.569
flat angles P-C4'-P energy: -21.016
tors. eta vs tors. theta energy: -28.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -350.264416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.264416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.264416 (E_RNA)
where:
Base-Base interactions energy: -186.035
where: short stacking energy: -106.166
Base-Backbone interact. energy: -0.146
local terms energy: -164.084253
where:
bonds (distance) C4'-P energy: -33.729
bonds (distance) P-C4' energy: -44.232
flat angles C4'-P-C4' energy: -40.214
flat angles P-C4'-P energy: -36.234
tors. eta vs tors. theta energy: -9.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -245.016331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.016331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.016331 (E_RNA)
where:
Base-Base interactions energy: -103.458
where: short stacking energy: -64.960
Base-Backbone interact. energy: -1.725
local terms energy: -139.833821
where:
bonds (distance) C4'-P energy: -39.223
bonds (distance) P-C4' energy: -45.871
flat angles C4'-P-C4' energy: -34.692
flat angles P-C4'-P energy: -28.730
tors. eta vs tors. theta energy: 8.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -929.608321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.608321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.608321 (E_RNA)
where:
Base-Base interactions energy: -628.634
where: short stacking energy: -272.679
Base-Backbone interact. energy: -1.650
local terms energy: -299.325087
where:
bonds (distance) C4'-P energy: -57.234
bonds (distance) P-C4' energy: -60.643
flat angles C4'-P-C4' energy: -66.012
flat angles P-C4'-P energy: -37.799
tors. eta vs tors. theta energy: -77.637
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: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -928.827985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.827985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.827985 (E_RNA)
where:
Base-Base interactions energy: -639.803
where: short stacking energy: -263.339
Base-Backbone interact. energy: -1.788
local terms energy: -287.237147
where:
bonds (distance) C4'-P energy: -50.145
bonds (distance) P-C4' energy: -52.125
flat angles C4'-P-C4' energy: -58.060
flat angles P-C4'-P energy: -45.914
tors. eta vs tors. theta energy: -80.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -848.612097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.612097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.612097 (E_RNA)
where:
Base-Base interactions energy: -598.490
where: short stacking energy: -242.862
Base-Backbone interact. energy: -1.210
local terms energy: -248.912035
where:
bonds (distance) C4'-P energy: -44.415
bonds (distance) P-C4' energy: -47.833
flat angles C4'-P-C4' energy: -48.594
flat angles P-C4'-P energy: -33.641
tors. eta vs tors. theta energy: -74.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -818.060911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.060911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.060911 (E_RNA)
where:
Base-Base interactions energy: -549.794
where: short stacking energy: -233.475
Base-Backbone interact. energy: -1.754
local terms energy: -266.513081
where:
bonds (distance) C4'-P energy: -51.404
bonds (distance) P-C4' energy: -50.322
flat angles C4'-P-C4' energy: -59.547
flat angles P-C4'-P energy: -35.680
tors. eta vs tors. theta energy: -69.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -730.284121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.284121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.284121 (E_RNA)
where:
Base-Base interactions energy: -479.018
where: short stacking energy: -220.979
Base-Backbone interact. energy: -1.974
local terms energy: -249.292606
where:
bonds (distance) C4'-P energy: -42.789
bonds (distance) P-C4' energy: -50.129
flat angles C4'-P-C4' energy: -55.635
flat angles P-C4'-P energy: -34.842
tors. eta vs tors. theta energy: -65.898
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: 6, replica: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -744.749480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.749480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.749480 (E_RNA)
where:
Base-Base interactions energy: -516.905
where: short stacking energy: -204.288
Base-Backbone interact. energy: -3.292
local terms energy: -224.552834
where:
bonds (distance) C4'-P energy: -30.929
bonds (distance) P-C4' energy: -54.809
flat angles C4'-P-C4' energy: -52.708
flat angles P-C4'-P energy: -28.182
tors. eta vs tors. theta energy: -57.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -703.535792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.535792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.535792 (E_RNA)
where:
Base-Base interactions energy: -481.349
where: short stacking energy: -199.219
Base-Backbone interact. energy: -1.195
local terms energy: -220.992024
where:
bonds (distance) C4'-P energy: -42.279
bonds (distance) P-C4' energy: -46.474
flat angles C4'-P-C4' energy: -50.286
flat angles P-C4'-P energy: -30.657
tors. eta vs tors. theta energy: -51.296
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: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -509.705124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.705124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.705124 (E_RNA)
where:
Base-Base interactions energy: -290.794
where: short stacking energy: -141.392
Base-Backbone interact. energy: 0.055
local terms energy: -218.966130
where:
bonds (distance) C4'-P energy: -41.909
bonds (distance) P-C4' energy: -50.764
flat angles C4'-P-C4' energy: -56.377
flat angles P-C4'-P energy: -33.792
tors. eta vs tors. theta energy: -36.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -336.199879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.199879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.199879 (E_RNA)
where:
Base-Base interactions energy: -161.675
where: short stacking energy: -96.885
Base-Backbone interact. energy: 3.665
local terms energy: -178.189893
where:
bonds (distance) C4'-P energy: -42.615
bonds (distance) P-C4' energy: -38.589
flat angles C4'-P-C4' energy: -44.166
flat angles P-C4'-P energy: -32.658
tors. eta vs tors. theta energy: -20.161
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: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -239.242858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.242858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.242858 (E_RNA)
where:
Base-Base interactions energy: -85.267
where: short stacking energy: -74.213
Base-Backbone interact. energy: -0.577
local terms energy: -153.398521
where:
bonds (distance) C4'-P energy: -45.752
bonds (distance) P-C4' energy: -44.948
flat angles C4'-P-C4' energy: -39.351
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: -6.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -934.543363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.543363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.543363 (E_RNA)
where:
Base-Base interactions energy: -650.471
where: short stacking energy: -267.276
Base-Backbone interact. energy: -2.303
local terms energy: -281.769635
where:
bonds (distance) C4'-P energy: -52.351
bonds (distance) P-C4' energy: -56.836
flat angles C4'-P-C4' energy: -58.903
flat angles P-C4'-P energy: -33.415
tors. eta vs tors. theta energy: -80.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -915.684281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.684281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.684281 (E_RNA)
where:
Base-Base interactions energy: -631.283
where: short stacking energy: -268.263
Base-Backbone interact. energy: -1.772
local terms energy: -282.628889
where:
bonds (distance) C4'-P energy: -50.481
bonds (distance) P-C4' energy: -57.847
flat angles C4'-P-C4' energy: -61.427
flat angles P-C4'-P energy: -37.577
tors. eta vs tors. theta energy: -75.297
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: 3, replica: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -849.674048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.674048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.674048 (E_RNA)
where:
Base-Base interactions energy: -590.128
where: short stacking energy: -257.045
Base-Backbone interact. energy: -1.219
local terms energy: -258.327152
where:
bonds (distance) C4'-P energy: -50.954
bonds (distance) P-C4' energy: -42.418
flat angles C4'-P-C4' energy: -55.977
flat angles P-C4'-P energy: -32.276
tors. eta vs tors. theta energy: -76.702
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: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -845.315312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.315312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.315312 (E_RNA)
where:
Base-Base interactions energy: -589.129
where: short stacking energy: -231.648
Base-Backbone interact. energy: 0.204
local terms energy: -256.390432
where:
bonds (distance) C4'-P energy: -57.220
bonds (distance) P-C4' energy: -41.859
flat angles C4'-P-C4' energy: -53.282
flat angles P-C4'-P energy: -33.336
tors. eta vs tors. theta energy: -70.693
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: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -766.559606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.559606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.559606 (E_RNA)
where:
Base-Base interactions energy: -530.997
where: short stacking energy: -229.843
Base-Backbone interact. energy: 0.198
local terms energy: -235.760910
where:
bonds (distance) C4'-P energy: -40.019
bonds (distance) P-C4' energy: -45.898
flat angles C4'-P-C4' energy: -58.840
flat angles P-C4'-P energy: -29.943
tors. eta vs tors. theta energy: -61.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -755.231181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.231181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.231181 (E_RNA)
where:
Base-Base interactions energy: -519.217
where: short stacking energy: -218.722
Base-Backbone interact. energy: -0.795
local terms energy: -235.218725
where:
bonds (distance) C4'-P energy: -40.023
bonds (distance) P-C4' energy: -50.037
flat angles C4'-P-C4' energy: -52.284
flat angles P-C4'-P energy: -29.519
tors. eta vs tors. theta energy: -63.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -709.860188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.860188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.860188 (E_RNA)
where:
Base-Base interactions energy: -471.894
where: short stacking energy: -206.204
Base-Backbone interact. energy: -0.229
local terms energy: -237.737667
where:
bonds (distance) C4'-P energy: -39.487
bonds (distance) P-C4' energy: -51.365
flat angles C4'-P-C4' energy: -48.180
flat angles P-C4'-P energy: -35.639
tors. eta vs tors. theta energy: -63.067
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: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -515.837597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.837597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.837597 (E_RNA)
where:
Base-Base interactions energy: -312.595
where: short stacking energy: -136.388
Base-Backbone interact. energy: -0.137
local terms energy: -203.105995
where:
bonds (distance) C4'-P energy: -46.932
bonds (distance) P-C4' energy: -43.798
flat angles C4'-P-C4' energy: -54.454
flat angles P-C4'-P energy: -33.264
tors. eta vs tors. theta energy: -24.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -317.482118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.482118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.482118 (E_RNA)
where:
Base-Base interactions energy: -153.914
where: short stacking energy: -107.881
Base-Backbone interact. energy: -0.667
local terms energy: -162.901762
where:
bonds (distance) C4'-P energy: -40.224
bonds (distance) P-C4' energy: -46.103
flat angles C4'-P-C4' energy: -45.397
flat angles P-C4'-P energy: -23.087
tors. eta vs tors. theta energy: -8.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -230.069450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.069450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.069450 (E_RNA)
where:
Base-Base interactions energy: -83.916
where: short stacking energy: -62.975
Base-Backbone interact. energy: -0.741
local terms energy: -145.411783
where:
bonds (distance) C4'-P energy: -38.871
bonds (distance) P-C4' energy: -50.910
flat angles C4'-P-C4' energy: -38.299
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -6.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -937.925986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.925986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.925986 (E_RNA)
where:
Base-Base interactions energy: -646.493
where: short stacking energy: -268.109
Base-Backbone interact. energy: -1.269
local terms energy: -290.163676
where:
bonds (distance) C4'-P energy: -55.427
bonds (distance) P-C4' energy: -48.978
flat angles C4'-P-C4' energy: -61.640
flat angles P-C4'-P energy: -43.588
tors. eta vs tors. theta energy: -80.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -905.652852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.652852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.652852 (E_RNA)
where:
Base-Base interactions energy: -621.654
where: short stacking energy: -253.762
Base-Backbone interact. energy: -1.886
local terms energy: -282.112475
where:
bonds (distance) C4'-P energy: -53.061
bonds (distance) P-C4' energy: -57.137
flat angles C4'-P-C4' energy: -58.043
flat angles P-C4'-P energy: -40.721
tors. eta vs tors. theta energy: -73.150
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: 43
Temperature: 1.000000
Total energy: -876.152882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.152882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.152882 (E_RNA)
where:
Base-Base interactions energy: -596.291
where: short stacking energy: -257.346
Base-Backbone interact. energy: 0.349
local terms energy: -280.210225
where:
bonds (distance) C4'-P energy: -50.673
bonds (distance) P-C4' energy: -54.276
flat angles C4'-P-C4' energy: -58.833
flat angles P-C4'-P energy: -41.392
tors. eta vs tors. theta energy: -75.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -845.754160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.754160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.754160 (E_RNA)
where:
Base-Base interactions energy: -595.590
where: short stacking energy: -248.096
Base-Backbone interact. energy: -2.047
local terms energy: -248.117061
where:
bonds (distance) C4'-P energy: -45.801
bonds (distance) P-C4' energy: -41.629
flat angles C4'-P-C4' energy: -51.055
flat angles P-C4'-P energy: -33.503
tors. eta vs tors. theta energy: -76.129
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: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -751.657810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.657810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.657810 (E_RNA)
where:
Base-Base interactions energy: -512.841
where: short stacking energy: -232.571
Base-Backbone interact. energy: -0.719
local terms energy: -238.096949
where:
bonds (distance) C4'-P energy: -53.302
bonds (distance) P-C4' energy: -46.474
flat angles C4'-P-C4' energy: -44.979
flat angles P-C4'-P energy: -30.034
tors. eta vs tors. theta energy: -63.308
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: 7
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -736.570263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.570263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.570263 (E_RNA)
where:
Base-Base interactions energy: -510.857
where: short stacking energy: -218.710
Base-Backbone interact. energy: -1.145
local terms energy: -224.568141
where:
bonds (distance) C4'-P energy: -40.011
bonds (distance) P-C4' energy: -41.994
flat angles C4'-P-C4' energy: -52.292
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -65.139
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: 43
Temperature: 1.200000
Total energy: -709.740747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.740747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.740747 (E_RNA)
where:
Base-Base interactions energy: -471.555
where: short stacking energy: -199.422
Base-Backbone interact. energy: -0.705
local terms energy: -237.480231
where:
bonds (distance) C4'-P energy: -50.676
bonds (distance) P-C4' energy: -50.825
flat angles C4'-P-C4' energy: -47.992
flat angles P-C4'-P energy: -34.524
tors. eta vs tors. theta energy: -53.463
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: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -526.872465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.872465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.872465 (E_RNA)
where:
Base-Base interactions energy: -321.589
where: short stacking energy: -170.020
Base-Backbone interact. energy: -0.402
local terms energy: -204.880962
where:
bonds (distance) C4'-P energy: -41.384
bonds (distance) P-C4' energy: -52.057
flat angles C4'-P-C4' energy: -39.548
flat angles P-C4'-P energy: -31.728
tors. eta vs tors. theta energy: -40.164
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: 43
Temperature: 1.300000
Total energy: -287.932039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.932039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.932039 (E_RNA)
where:
Base-Base interactions energy: -146.676
where: short stacking energy: -92.160
Base-Backbone interact. energy: -0.416
local terms energy: -140.840640
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -45.161
flat angles C4'-P-C4' energy: -38.859
flat angles P-C4'-P energy: -24.703
tors. eta vs tors. theta energy: -8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -241.486542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.486542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.486542 (E_RNA)
where:
Base-Base interactions energy: -92.250
where: short stacking energy: -73.137
Base-Backbone interact. energy: 3.016
local terms energy: -152.252009
where:
bonds (distance) C4'-P energy: -43.029
bonds (distance) P-C4' energy: -44.233
flat angles C4'-P-C4' energy: -38.205
flat angles P-C4'-P energy: -26.111
tors. eta vs tors. theta energy: -0.674
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: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -937.936005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.936005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.936005 (E_RNA)
where:
Base-Base interactions energy: -641.786
where: short stacking energy: -260.333
Base-Backbone interact. energy: -1.877
local terms energy: -294.272877
where:
bonds (distance) C4'-P energy: -53.435
bonds (distance) P-C4' energy: -60.848
flat angles C4'-P-C4' energy: -63.056
flat angles P-C4'-P energy: -41.979
tors. eta vs tors. theta energy: -74.956
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: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -904.903474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.903474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.903474 (E_RNA)
where:
Base-Base interactions energy: -626.109
where: short stacking energy: -245.864
Base-Backbone interact. energy: -0.058
local terms energy: -278.736782
where:
bonds (distance) C4'-P energy: -51.945
bonds (distance) P-C4' energy: -56.511
flat angles C4'-P-C4' energy: -59.959
flat angles P-C4'-P energy: -40.026
tors. eta vs tors. theta energy: -70.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -855.886474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.886474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.886474 (E_RNA)
where:
Base-Base interactions energy: -596.798
where: short stacking energy: -253.943
Base-Backbone interact. energy: 1.405
local terms energy: -260.494105
where:
bonds (distance) C4'-P energy: -45.881
bonds (distance) P-C4' energy: -46.148
flat angles C4'-P-C4' energy: -52.514
flat angles P-C4'-P energy: -42.905
tors. eta vs tors. theta energy: -73.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -851.156121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.156121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.156121 (E_RNA)
where:
Base-Base interactions energy: -588.004
where: short stacking energy: -243.746
Base-Backbone interact. energy: -1.986
local terms energy: -261.166147
where:
bonds (distance) C4'-P energy: -46.800
bonds (distance) P-C4' energy: -45.735
flat angles C4'-P-C4' energy: -57.308
flat angles P-C4'-P energy: -32.114
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: 5, replica: 7
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -774.272577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.272577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.272577 (E_RNA)
where:
Base-Base interactions energy: -524.902
where: short stacking energy: -237.097
Base-Backbone interact. energy: -1.780
local terms energy: -247.590537
where:
bonds (distance) C4'-P energy: -44.704
bonds (distance) P-C4' energy: -49.833
flat angles C4'-P-C4' energy: -54.314
flat angles P-C4'-P energy: -31.759
tors. eta vs tors. theta energy: -66.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -729.453981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.453981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.453981 (E_RNA)
where:
Base-Base interactions energy: -490.070
where: short stacking energy: -207.299
Base-Backbone interact. energy: -1.330
local terms energy: -238.054696
where:
bonds (distance) C4'-P energy: -46.227
bonds (distance) P-C4' energy: -45.778
flat angles C4'-P-C4' energy: -52.247
flat angles P-C4'-P energy: -42.447
tors. eta vs tors. theta energy: -51.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -692.710503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.710503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.710503 (E_RNA)
where:
Base-Base interactions energy: -465.962
where: short stacking energy: -200.434
Base-Backbone interact. energy: -1.705
local terms energy: -225.044048
where:
bonds (distance) C4'-P energy: -47.164
bonds (distance) P-C4' energy: -53.079
flat angles C4'-P-C4' energy: -42.362
flat angles P-C4'-P energy: -26.237
tors. eta vs tors. theta energy: -56.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -526.734834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.734834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.734834 (E_RNA)
where:
Base-Base interactions energy: -326.600
where: short stacking energy: -145.230
Base-Backbone interact. energy: -0.662
local terms energy: -199.473451
where:
bonds (distance) C4'-P energy: -46.075
bonds (distance) P-C4' energy: -40.324
flat angles C4'-P-C4' energy: -44.539
flat angles P-C4'-P energy: -35.197
tors. eta vs tors. theta energy: -33.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -312.157753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.157753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.157753 (E_RNA)
where:
Base-Base interactions energy: -158.776
where: short stacking energy: -100.405
Base-Backbone interact. energy: -1.618
local terms energy: -151.763311
where:
bonds (distance) C4'-P energy: -33.852
bonds (distance) P-C4' energy: -42.869
flat angles C4'-P-C4' energy: -39.991
flat angles P-C4'-P energy: -30.500
tors. eta vs tors. theta energy: -4.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -237.296455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.296455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.296455 (E_RNA)
where:
Base-Base interactions energy: -68.020
where: short stacking energy: -60.255
Base-Backbone interact. energy: 0.206
local terms energy: -169.481760
where:
bonds (distance) C4'-P energy: -49.806
bonds (distance) P-C4' energy: -49.925
flat angles C4'-P-C4' energy: -42.349
flat angles P-C4'-P energy: -24.331
tors. eta vs tors. theta energy: -3.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -944.548514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.548514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.548514 (E_RNA)
where:
Base-Base interactions energy: -673.984
where: short stacking energy: -281.217
Base-Backbone interact. energy: -0.525
local terms energy: -270.039336
where:
bonds (distance) C4'-P energy: -53.319
bonds (distance) P-C4' energy: -52.589
flat angles C4'-P-C4' energy: -56.262
flat angles P-C4'-P energy: -33.033
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: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -909.945516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.945516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.945516 (E_RNA)
where:
Base-Base interactions energy: -618.622
where: short stacking energy: -245.134
Base-Backbone interact. energy: 0.349
local terms energy: -291.673231
where:
bonds (distance) C4'-P energy: -52.540
bonds (distance) P-C4' energy: -58.161
flat angles C4'-P-C4' energy: -60.609
flat angles P-C4'-P energy: -42.690
tors. eta vs tors. theta energy: -77.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -858.719790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.719790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.719790 (E_RNA)
where:
Base-Base interactions energy: -598.373
where: short stacking energy: -263.799
Base-Backbone interact. energy: -1.363
local terms energy: -258.984124
where:
bonds (distance) C4'-P energy: -46.311
bonds (distance) P-C4' energy: -47.562
flat angles C4'-P-C4' energy: -51.080
flat angles P-C4'-P energy: -37.220
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: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -834.986264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.986264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.986264 (E_RNA)
where:
Base-Base interactions energy: -570.520
where: short stacking energy: -233.698
Base-Backbone interact. energy: -0.983
local terms energy: -263.483604
where:
bonds (distance) C4'-P energy: -50.172
bonds (distance) P-C4' energy: -49.742
flat angles C4'-P-C4' energy: -49.099
flat angles P-C4'-P energy: -42.448
tors. eta vs tors. theta energy: -72.022
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: 5, replica: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -768.387844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.387844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.387844 (E_RNA)
where:
Base-Base interactions energy: -525.420
where: short stacking energy: -213.800
Base-Backbone interact. energy: -0.030
local terms energy: -242.938102
where:
bonds (distance) C4'-P energy: -45.192
bonds (distance) P-C4' energy: -47.713
flat angles C4'-P-C4' energy: -50.799
flat angles P-C4'-P energy: -30.570
tors. eta vs tors. theta energy: -68.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -758.019863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.019863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.019863 (E_RNA)
where:
Base-Base interactions energy: -513.037
where: short stacking energy: -214.687
Base-Backbone interact. energy: 1.117
local terms energy: -246.100400
where:
bonds (distance) C4'-P energy: -45.691
bonds (distance) P-C4' energy: -49.831
flat angles C4'-P-C4' energy: -49.446
flat angles P-C4'-P energy: -38.088
tors. eta vs tors. theta energy: -63.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -698.180338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.180338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.180338 (E_RNA)
where:
Base-Base interactions energy: -480.256
where: short stacking energy: -202.308
Base-Backbone interact. energy: -1.054
local terms energy: -216.870785
where:
bonds (distance) C4'-P energy: -38.776
bonds (distance) P-C4' energy: -40.532
flat angles C4'-P-C4' energy: -48.574
flat angles P-C4'-P energy: -32.455
tors. eta vs tors. theta energy: -56.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -494.284115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.284115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.284115 (E_RNA)
where:
Base-Base interactions energy: -297.915
where: short stacking energy: -135.857
Base-Backbone interact. energy: -0.190
local terms energy: -196.178629
where:
bonds (distance) C4'-P energy: -49.776
bonds (distance) P-C4' energy: -44.329
flat angles C4'-P-C4' energy: -48.267
flat angles P-C4'-P energy: -26.233
tors. eta vs tors. theta energy: -27.574
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: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -315.546145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.546145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.546145 (E_RNA)
where:
Base-Base interactions energy: -129.932
where: short stacking energy: -75.678
Base-Backbone interact. energy: 0.268
local terms energy: -185.882382
where:
bonds (distance) C4'-P energy: -46.702
bonds (distance) P-C4' energy: -58.030
flat angles C4'-P-C4' energy: -44.193
flat angles P-C4'-P energy: -31.486
tors. eta vs tors. theta energy: -5.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -232.682573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.682573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.682573 (E_RNA)
where:
Base-Base interactions energy: -93.851
where: short stacking energy: -65.657
Base-Backbone interact. energy: 0.131
local terms energy: -138.962654
where:
bonds (distance) C4'-P energy: -42.477
bonds (distance) P-C4' energy: -52.319
flat angles C4'-P-C4' energy: -38.704
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: 7.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -945.062424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.062424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.062424 (E_RNA)
where:
Base-Base interactions energy: -647.463
where: short stacking energy: -257.983
Base-Backbone interact. energy: -0.367
local terms energy: -297.232597
where:
bonds (distance) C4'-P energy: -58.217
bonds (distance) P-C4' energy: -54.815
flat angles C4'-P-C4' energy: -61.862
flat angles P-C4'-P energy: -44.099
tors. eta vs tors. theta energy: -78.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -928.439957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.439957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.439957 (E_RNA)
where:
Base-Base interactions energy: -665.894
where: short stacking energy: -261.889
Base-Backbone interact. energy: -3.255
local terms energy: -259.290604
where:
bonds (distance) C4'-P energy: -37.792
bonds (distance) P-C4' energy: -49.082
flat angles C4'-P-C4' energy: -59.203
flat angles P-C4'-P energy: -33.188
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: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -864.106023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.106023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.106023 (E_RNA)
where:
Base-Base interactions energy: -589.623
where: short stacking energy: -252.092
Base-Backbone interact. energy: 3.571
local terms energy: -278.053754
where:
bonds (distance) C4'-P energy: -50.911
bonds (distance) P-C4' energy: -53.771
flat angles C4'-P-C4' energy: -64.767
flat angles P-C4'-P energy: -32.736
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: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -849.276031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.276031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.276031 (E_RNA)
where:
Base-Base interactions energy: -602.229
where: short stacking energy: -256.396
Base-Backbone interact. energy: -2.274
local terms energy: -244.773831
where:
bonds (distance) C4'-P energy: -48.003
bonds (distance) P-C4' energy: -41.333
flat angles C4'-P-C4' energy: -55.597
flat angles P-C4'-P energy: -25.599
tors. eta vs tors. theta energy: -74.242
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: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -779.286877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.286877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.286877 (E_RNA)
where:
Base-Base interactions energy: -519.951
where: short stacking energy: -221.050
Base-Backbone interact. energy: -1.171
local terms energy: -258.165020
where:
bonds (distance) C4'-P energy: -56.859
bonds (distance) P-C4' energy: -45.929
flat angles C4'-P-C4' energy: -49.098
flat angles P-C4'-P energy: -37.853
tors. eta vs tors. theta energy: -68.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -759.320986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.320986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.320986 (E_RNA)
where:
Base-Base interactions energy: -530.305
where: short stacking energy: -215.264
Base-Backbone interact. energy: 0.712
local terms energy: -229.728037
where:
bonds (distance) C4'-P energy: -36.457
bonds (distance) P-C4' energy: -44.676
flat angles C4'-P-C4' energy: -50.282
flat angles P-C4'-P energy: -34.775
tors. eta vs tors. theta energy: -63.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -692.107340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.107340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.107340 (E_RNA)
where:
Base-Base interactions energy: -459.683
where: short stacking energy: -204.003
Base-Backbone interact. energy: 1.391
local terms energy: -233.815044
where:
bonds (distance) C4'-P energy: -43.395
bonds (distance) P-C4' energy: -52.381
flat angles C4'-P-C4' energy: -46.469
flat angles P-C4'-P energy: -33.925
tors. eta vs tors. theta energy: -57.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -490.341897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.341897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.341897 (E_RNA)
where:
Base-Base interactions energy: -298.350
where: short stacking energy: -151.745
Base-Backbone interact. energy: -1.169
local terms energy: -190.822473
where:
bonds (distance) C4'-P energy: -41.033
bonds (distance) P-C4' energy: -48.938
flat angles C4'-P-C4' energy: -40.802
flat angles P-C4'-P energy: -27.934
tors. eta vs tors. theta energy: -32.116
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: 46
Temperature: 1.300000
Total energy: -316.666231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.666231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.666231 (E_RNA)
where:
Base-Base interactions energy: -161.401
where: short stacking energy: -97.914
Base-Backbone interact. energy: -1.031
local terms energy: -154.234648
where:
bonds (distance) C4'-P energy: -50.277
bonds (distance) P-C4' energy: -31.070
flat angles C4'-P-C4' energy: -48.618
flat angles P-C4'-P energy: -20.749
tors. eta vs tors. theta energy: -3.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -233.035670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.035670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.035670 (E_RNA)
where:
Base-Base interactions energy: -90.931
where: short stacking energy: -67.305
Base-Backbone interact. energy: -1.180
local terms energy: -140.924638
where:
bonds (distance) C4'-P energy: -39.677
bonds (distance) P-C4' energy: -48.605
flat angles C4'-P-C4' energy: -36.140
flat angles P-C4'-P energy: -21.723
tors. eta vs tors. theta energy: 5.220
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: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -951.488985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.488985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.488985 (E_RNA)
where:
Base-Base interactions energy: -662.494
where: short stacking energy: -263.740
Base-Backbone interact. energy: -1.450
local terms energy: -287.545430
where:
bonds (distance) C4'-P energy: -49.801
bonds (distance) P-C4' energy: -59.069
flat angles C4'-P-C4' energy: -62.242
flat angles P-C4'-P energy: -38.532
tors. eta vs tors. theta energy: -77.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -932.023479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.023479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.023479 (E_RNA)
where:
Base-Base interactions energy: -649.848
where: short stacking energy: -246.446
Base-Backbone interact. energy: -2.578
local terms energy: -279.597868
where:
bonds (distance) C4'-P energy: -45.017
bonds (distance) P-C4' energy: -56.828
flat angles C4'-P-C4' energy: -62.646
flat angles P-C4'-P energy: -40.140
tors. eta vs tors. theta energy: -74.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -881.834674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.834674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.834674 (E_RNA)
where:
Base-Base interactions energy: -599.281
where: short stacking energy: -261.419
Base-Backbone interact. energy: -0.807
local terms energy: -281.747142
where:
bonds (distance) C4'-P energy: -49.413
bonds (distance) P-C4' energy: -56.756
flat angles C4'-P-C4' energy: -61.217
flat angles P-C4'-P energy: -39.878
tors. eta vs tors. theta energy: -74.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -868.598641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.598641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.598641 (E_RNA)
where:
Base-Base interactions energy: -610.342
where: short stacking energy: -239.032
Base-Backbone interact. energy: 1.486
local terms energy: -259.742303
where:
bonds (distance) C4'-P energy: -55.337
bonds (distance) P-C4' energy: -49.161
flat angles C4'-P-C4' energy: -51.048
flat angles P-C4'-P energy: -34.032
tors. eta vs tors. theta energy: -70.165
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: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -743.146644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.146644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.146644 (E_RNA)
where:
Base-Base interactions energy: -502.926
where: short stacking energy: -211.481
Base-Backbone interact. energy: -1.263
local terms energy: -238.957004
where:
bonds (distance) C4'-P energy: -52.754
bonds (distance) P-C4' energy: -52.306
flat angles C4'-P-C4' energy: -47.323
flat angles P-C4'-P energy: -26.465
tors. eta vs tors. theta energy: -60.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -743.445959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.445959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.445959 (E_RNA)
where:
Base-Base interactions energy: -498.842
where: short stacking energy: -230.777
Base-Backbone interact. energy: -0.009
local terms energy: -244.594653
where:
bonds (distance) C4'-P energy: -48.104
bonds (distance) P-C4' energy: -43.489
flat angles C4'-P-C4' energy: -49.016
flat angles P-C4'-P energy: -40.273
tors. eta vs tors. theta energy: -63.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -721.090474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.090474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.090474 (E_RNA)
where:
Base-Base interactions energy: -491.639
where: short stacking energy: -203.010
Base-Backbone interact. energy: 2.713
local terms energy: -232.164992
where:
bonds (distance) C4'-P energy: -44.597
bonds (distance) P-C4' energy: -45.957
flat angles C4'-P-C4' energy: -52.825
flat angles P-C4'-P energy: -36.378
tors. eta vs tors. theta energy: -52.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -497.670262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.670262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.670262 (E_RNA)
where:
Base-Base interactions energy: -299.865
where: short stacking energy: -141.971
Base-Backbone interact. energy: 1.038
local terms energy: -198.843811
where:
bonds (distance) C4'-P energy: -48.451
bonds (distance) P-C4' energy: -54.958
flat angles C4'-P-C4' energy: -48.780
flat angles P-C4'-P energy: -23.175
tors. eta vs tors. theta energy: -23.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -290.648197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.648197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.648197 (E_RNA)
where:
Base-Base interactions energy: -126.441
where: short stacking energy: -89.658
Base-Backbone interact. energy: -1.822
local terms energy: -162.385360
where:
bonds (distance) C4'-P energy: -37.371
bonds (distance) P-C4' energy: -51.796
flat angles C4'-P-C4' energy: -43.066
flat angles P-C4'-P energy: -30.403
tors. eta vs tors. theta energy: 0.251
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: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -244.225419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.225419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.225419 (E_RNA)
where:
Base-Base interactions energy: -87.957
where: short stacking energy: -71.523
Base-Backbone interact. energy: -0.090
local terms energy: -156.178247
where:
bonds (distance) C4'-P energy: -44.837
bonds (distance) P-C4' energy: -46.265
flat angles C4'-P-C4' energy: -39.248
flat angles P-C4'-P energy: -28.681
tors. eta vs tors. theta energy: 2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -947.211204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.211204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.211204 (E_RNA)
where:
Base-Base interactions energy: -661.906
where: short stacking energy: -257.246
Base-Backbone interact. energy: -1.811
local terms energy: -283.494803
where:
bonds (distance) C4'-P energy: -58.216
bonds (distance) P-C4' energy: -49.275
flat angles C4'-P-C4' energy: -58.400
flat angles P-C4'-P energy: -38.007
tors. eta vs tors. theta energy: -79.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -908.065160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.065160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.065160 (E_RNA)
where:
Base-Base interactions energy: -621.929
where: short stacking energy: -261.601
Base-Backbone interact. energy: -1.793
local terms energy: -284.343123
where:
bonds (distance) C4'-P energy: -46.421
bonds (distance) P-C4' energy: -61.338
flat angles C4'-P-C4' energy: -58.011
flat angles P-C4'-P energy: -42.071
tors. eta vs tors. theta energy: -76.502
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: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -871.704216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.704216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.704216 (E_RNA)
where:
Base-Base interactions energy: -601.302
where: short stacking energy: -238.223
Base-Backbone interact. energy: -2.331
local terms energy: -268.071363
where:
bonds (distance) C4'-P energy: -52.216
bonds (distance) P-C4' energy: -59.942
flat angles C4'-P-C4' energy: -53.576
flat angles P-C4'-P energy: -26.433
tors. eta vs tors. theta energy: -75.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -844.655151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.655151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.655151 (E_RNA)
where:
Base-Base interactions energy: -577.188
where: short stacking energy: -250.823
Base-Backbone interact. energy: -0.864
local terms energy: -266.603014
where:
bonds (distance) C4'-P energy: -48.446
bonds (distance) P-C4' energy: -52.117
flat angles C4'-P-C4' energy: -57.154
flat angles P-C4'-P energy: -42.259
tors. eta vs tors. theta energy: -66.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -760.973553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.973553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.973553 (E_RNA)
where:
Base-Base interactions energy: -528.220
where: short stacking energy: -222.952
Base-Backbone interact. energy: 3.920
local terms energy: -236.673396
where:
bonds (distance) C4'-P energy: -40.566
bonds (distance) P-C4' energy: -49.626
flat angles C4'-P-C4' energy: -52.231
flat angles P-C4'-P energy: -31.135
tors. eta vs tors. theta energy: -63.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -722.901585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.901585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.901585 (E_RNA)
where:
Base-Base interactions energy: -489.372
where: short stacking energy: -215.991
Base-Backbone interact. energy: 0.283
local terms energy: -233.812838
where:
bonds (distance) C4'-P energy: -42.738
bonds (distance) P-C4' energy: -41.973
flat angles C4'-P-C4' energy: -50.838
flat angles P-C4'-P energy: -31.048
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: 7, replica: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -719.057671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.057671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.057671 (E_RNA)
where:
Base-Base interactions energy: -489.337
where: short stacking energy: -213.165
Base-Backbone interact. energy: 0.866
local terms energy: -230.587051
where:
bonds (distance) C4'-P energy: -45.481
bonds (distance) P-C4' energy: -39.059
flat angles C4'-P-C4' energy: -51.991
flat angles P-C4'-P energy: -34.640
tors. eta vs tors. theta energy: -59.417
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: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -490.865009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.865009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.865009 (E_RNA)
where:
Base-Base interactions energy: -303.399
where: short stacking energy: -144.639
Base-Backbone interact. energy: 0.844
local terms energy: -188.310074
where:
bonds (distance) C4'-P energy: -46.042
bonds (distance) P-C4' energy: -47.353
flat angles C4'-P-C4' energy: -49.212
flat angles P-C4'-P energy: -29.157
tors. eta vs tors. theta energy: -16.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -353.930546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.930546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.930546 (E_RNA)
where:
Base-Base interactions energy: -181.004
where: short stacking energy: -100.195
Base-Backbone interact. energy: -1.002
local terms energy: -171.924451
where:
bonds (distance) C4'-P energy: -46.476
bonds (distance) P-C4' energy: -44.353
flat angles C4'-P-C4' energy: -38.604
flat angles P-C4'-P energy: -34.149
tors. eta vs tors. theta energy: -8.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -223.896962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.896962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.896962 (E_RNA)
where:
Base-Base interactions energy: -67.076
where: short stacking energy: -58.164
Base-Backbone interact. energy: 1.309
local terms energy: -158.130855
where:
bonds (distance) C4'-P energy: -45.795
bonds (distance) P-C4' energy: -51.033
flat angles C4'-P-C4' energy: -37.650
flat angles P-C4'-P energy: -26.988
tors. eta vs tors. theta energy: 3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -925.919752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.919752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.919752 (E_RNA)
where:
Base-Base interactions energy: -659.571
where: short stacking energy: -280.256
Base-Backbone interact. energy: -0.642
local terms energy: -265.706685
where:
bonds (distance) C4'-P energy: -41.979
bonds (distance) P-C4' energy: -40.629
flat angles C4'-P-C4' energy: -54.959
flat angles P-C4'-P energy: -45.448
tors. eta vs tors. theta energy: -82.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -912.973179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.973179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.973179 (E_RNA)
where:
Base-Base interactions energy: -642.991
where: short stacking energy: -256.761
Base-Backbone interact. energy: -1.200
local terms energy: -268.782316
where:
bonds (distance) C4'-P energy: -52.355
bonds (distance) P-C4' energy: -49.864
flat angles C4'-P-C4' energy: -60.489
flat angles P-C4'-P energy: -31.506
tors. eta vs tors. theta energy: -74.568
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: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -873.879578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.879578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.879578 (E_RNA)
where:
Base-Base interactions energy: -617.363
where: short stacking energy: -249.323
Base-Backbone interact. energy: -1.868
local terms energy: -254.649314
where:
bonds (distance) C4'-P energy: -47.980
bonds (distance) P-C4' energy: -48.425
flat angles C4'-P-C4' energy: -53.531
flat angles P-C4'-P energy: -36.937
tors. eta vs tors. theta energy: -67.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -829.450764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.450764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.450764 (E_RNA)
where:
Base-Base interactions energy: -560.009
where: short stacking energy: -239.694
Base-Backbone interact. energy: -1.836
local terms energy: -267.605234
where:
bonds (distance) C4'-P energy: -53.398
bonds (distance) P-C4' energy: -59.825
flat angles C4'-P-C4' energy: -48.724
flat angles P-C4'-P energy: -34.605
tors. eta vs tors. theta energy: -71.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -777.568772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.568772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.568772 (E_RNA)
where:
Base-Base interactions energy: -519.221
where: short stacking energy: -228.468
Base-Backbone interact. energy: 0.194
local terms energy: -258.541584
where:
bonds (distance) C4'-P energy: -50.033
bonds (distance) P-C4' energy: -53.673
flat angles C4'-P-C4' energy: -49.471
flat angles P-C4'-P energy: -37.085
tors. eta vs tors. theta energy: -68.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -742.159630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.159630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.159630 (E_RNA)
where:
Base-Base interactions energy: -503.639
where: short stacking energy: -222.552
Base-Backbone interact. energy: -0.661
local terms energy: -237.859758
where:
bonds (distance) C4'-P energy: -45.813
bonds (distance) P-C4' energy: -49.995
flat angles C4'-P-C4' energy: -53.129
flat angles P-C4'-P energy: -28.729
tors. eta vs tors. theta energy: -60.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -723.234129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.234129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.234129 (E_RNA)
where:
Base-Base interactions energy: -492.092
where: short stacking energy: -192.642
Base-Backbone interact. energy: 2.652
local terms energy: -233.794649
where:
bonds (distance) C4'-P energy: -42.940
bonds (distance) P-C4' energy: -44.815
flat angles C4'-P-C4' energy: -56.211
flat angles P-C4'-P energy: -40.947
tors. eta vs tors. theta energy: -48.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -468.079252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.079252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.079252 (E_RNA)
where:
Base-Base interactions energy: -292.165
where: short stacking energy: -130.331
Base-Backbone interact. energy: 1.189
local terms energy: -177.103500
where:
bonds (distance) C4'-P energy: -50.116
bonds (distance) P-C4' energy: -47.889
flat angles C4'-P-C4' energy: -36.148
flat angles P-C4'-P energy: -21.079
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: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -349.748818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.748818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.748818 (E_RNA)
where:
Base-Base interactions energy: -230.619
where: short stacking energy: -104.201
Base-Backbone interact. energy: -0.961
local terms energy: -118.168691
where:
bonds (distance) C4'-P energy: -29.983
bonds (distance) P-C4' energy: -33.607
flat angles C4'-P-C4' energy: -40.809
flat angles P-C4'-P energy: -19.542
tors. eta vs tors. theta energy: 5.773
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: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -244.523531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.523531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.523531 (E_RNA)
where:
Base-Base interactions energy: -96.472
where: short stacking energy: -67.503
Base-Backbone interact. energy: 1.093
local terms energy: -149.144311
where:
bonds (distance) C4'-P energy: -40.352
bonds (distance) P-C4' energy: -51.094
flat angles C4'-P-C4' energy: -39.666
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -926.844689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.844689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.844689 (E_RNA)
where:
Base-Base interactions energy: -637.367
where: short stacking energy: -260.012
Base-Backbone interact. energy: -0.728
local terms energy: -288.749670
where:
bonds (distance) C4'-P energy: -57.160
bonds (distance) P-C4' energy: -52.910
flat angles C4'-P-C4' energy: -56.417
flat angles P-C4'-P energy: -44.668
tors. eta vs tors. theta energy: -77.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -910.647567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.647567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.647567 (E_RNA)
where:
Base-Base interactions energy: -641.697
where: short stacking energy: -264.377
Base-Backbone interact. energy: -0.484
local terms energy: -268.467020
where:
bonds (distance) C4'-P energy: -54.844
bonds (distance) P-C4' energy: -48.711
flat angles C4'-P-C4' energy: -55.369
flat angles P-C4'-P energy: -36.162
tors. eta vs tors. theta energy: -73.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -874.258406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.258406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.258406 (E_RNA)
where:
Base-Base interactions energy: -629.022
where: short stacking energy: -247.673
Base-Backbone interact. energy: 0.299
local terms energy: -245.534756
where:
bonds (distance) C4'-P energy: -46.332
bonds (distance) P-C4' energy: -52.695
flat angles C4'-P-C4' energy: -47.926
flat angles P-C4'-P energy: -35.433
tors. eta vs tors. theta energy: -63.149
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: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -852.619250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.619250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.619250 (E_RNA)
where:
Base-Base interactions energy: -588.896
where: short stacking energy: -257.255
Base-Backbone interact. energy: 3.277
local terms energy: -267.000233
where:
bonds (distance) C4'-P energy: -53.504
bonds (distance) P-C4' energy: -47.382
flat angles C4'-P-C4' energy: -52.904
flat angles P-C4'-P energy: -39.150
tors. eta vs tors. theta energy: -74.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -759.761557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.761557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.761557 (E_RNA)
where:
Base-Base interactions energy: -511.639
where: short stacking energy: -225.547
Base-Backbone interact. energy: -1.763
local terms energy: -246.359635
where:
bonds (distance) C4'-P energy: -48.095
bonds (distance) P-C4' energy: -40.636
flat angles C4'-P-C4' energy: -48.066
flat angles P-C4'-P energy: -43.798
tors. eta vs tors. theta energy: -65.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -728.592930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.592930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.592930 (E_RNA)
where:
Base-Base interactions energy: -490.869
where: short stacking energy: -221.794
Base-Backbone interact. energy: -0.859
local terms energy: -236.865179
where:
bonds (distance) C4'-P energy: -37.605
bonds (distance) P-C4' energy: -56.870
flat angles C4'-P-C4' energy: -46.549
flat angles P-C4'-P energy: -30.421
tors. eta vs tors. theta energy: -65.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -713.341429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.341429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.341429 (E_RNA)
where:
Base-Base interactions energy: -482.370
where: short stacking energy: -188.911
Base-Backbone interact. energy: -1.619
local terms energy: -229.351835
where:
bonds (distance) C4'-P energy: -39.477
bonds (distance) P-C4' energy: -49.981
flat angles C4'-P-C4' energy: -59.746
flat angles P-C4'-P energy: -32.408
tors. eta vs tors. theta energy: -47.740
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: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -426.884059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.884059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.884059 (E_RNA)
where:
Base-Base interactions energy: -252.874
where: short stacking energy: -123.248
Base-Backbone interact. energy: -0.358
local terms energy: -173.652184
where:
bonds (distance) C4'-P energy: -43.369
bonds (distance) P-C4' energy: -54.105
flat angles C4'-P-C4' energy: -38.974
flat angles P-C4'-P energy: -27.040
tors. eta vs tors. theta energy: -10.164
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: 50
Temperature: 1.300000
Total energy: -375.374784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.374784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.374784 (E_RNA)
where:
Base-Base interactions energy: -206.305
where: short stacking energy: -90.565
Base-Backbone interact. energy: 3.058
local terms energy: -172.127213
where:
bonds (distance) C4'-P energy: -41.771
bonds (distance) P-C4' energy: -43.535
flat angles C4'-P-C4' energy: -51.048
flat angles P-C4'-P energy: -26.339
tors. eta vs tors. theta energy: -9.434
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: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -244.159347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.159347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.159347 (E_RNA)
where:
Base-Base interactions energy: -93.828
where: short stacking energy: -62.260
Base-Backbone interact. energy: -0.610
local terms energy: -149.721118
where:
bonds (distance) C4'-P energy: -44.293
bonds (distance) P-C4' energy: -51.340
flat angles C4'-P-C4' energy: -41.092
flat angles P-C4'-P energy: -24.737
tors. eta vs tors. theta energy: 11.741
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: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -927.972692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.972692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.972692 (E_RNA)
where:
Base-Base interactions energy: -659.063
where: short stacking energy: -274.007
Base-Backbone interact. energy: -1.239
local terms energy: -267.671350
where:
bonds (distance) C4'-P energy: -51.625
bonds (distance) P-C4' energy: -46.791
flat angles C4'-P-C4' energy: -58.089
flat angles P-C4'-P energy: -38.271
tors. eta vs tors. theta energy: -72.895
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: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -904.452699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.452699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.452699 (E_RNA)
where:
Base-Base interactions energy: -629.117
where: short stacking energy: -256.142
Base-Backbone interact. energy: -0.537
local terms energy: -274.798419
where:
bonds (distance) C4'-P energy: -48.826
bonds (distance) P-C4' energy: -54.719
flat angles C4'-P-C4' energy: -53.920
flat angles P-C4'-P energy: -42.807
tors. eta vs tors. theta energy: -74.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -844.012249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.012249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.012249 (E_RNA)
where:
Base-Base interactions energy: -593.753
where: short stacking energy: -238.703
Base-Backbone interact. energy: 1.032
local terms energy: -251.290767
where:
bonds (distance) C4'-P energy: -48.667
bonds (distance) P-C4' energy: -45.359
flat angles C4'-P-C4' energy: -50.693
flat angles P-C4'-P energy: -35.834
tors. eta vs tors. theta energy: -70.739
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: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -842.450303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.450303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.450303 (E_RNA)
where:
Base-Base interactions energy: -576.820
where: short stacking energy: -251.083
Base-Backbone interact. energy: -0.525
local terms energy: -265.105513
where:
bonds (distance) C4'-P energy: -41.960
bonds (distance) P-C4' energy: -56.931
flat angles C4'-P-C4' energy: -54.254
flat angles P-C4'-P energy: -40.548
tors. eta vs tors. theta energy: -71.413
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: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -776.289780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.289780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.289780 (E_RNA)
where:
Base-Base interactions energy: -532.856
where: short stacking energy: -230.267
Base-Backbone interact. energy: -1.997
local terms energy: -241.437363
where:
bonds (distance) C4'-P energy: -48.784
bonds (distance) P-C4' energy: -35.760
flat angles C4'-P-C4' energy: -53.857
flat angles P-C4'-P energy: -30.502
tors. eta vs tors. theta energy: -72.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -764.107510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.107510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.107510 (E_RNA)
where:
Base-Base interactions energy: -540.931
where: short stacking energy: -213.445
Base-Backbone interact. energy: 0.625
local terms energy: -223.801007
where:
bonds (distance) C4'-P energy: -38.525
bonds (distance) P-C4' energy: -42.776
flat angles C4'-P-C4' energy: -52.654
flat angles P-C4'-P energy: -35.926
tors. eta vs tors. theta energy: -53.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -661.563815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.563815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.563815 (E_RNA)
where:
Base-Base interactions energy: -441.009
where: short stacking energy: -180.937
Base-Backbone interact. energy: -0.285
local terms energy: -220.269833
where:
bonds (distance) C4'-P energy: -41.340
bonds (distance) P-C4' energy: -46.202
flat angles C4'-P-C4' energy: -46.123
flat angles P-C4'-P energy: -39.356
tors. eta vs tors. theta energy: -47.249
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: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -455.507906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.507906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.507906 (E_RNA)
where:
Base-Base interactions energy: -276.155
where: short stacking energy: -128.776
Base-Backbone interact. energy: -0.373
local terms energy: -178.979293
where:
bonds (distance) C4'-P energy: -40.134
bonds (distance) P-C4' energy: -46.254
flat angles C4'-P-C4' energy: -48.977
flat angles P-C4'-P energy: -29.894
tors. eta vs tors. theta energy: -13.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -351.827572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.827572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.827572 (E_RNA)
where:
Base-Base interactions energy: -174.456
where: short stacking energy: -109.538
Base-Backbone interact. energy: -0.169
local terms energy: -177.202548
where:
bonds (distance) C4'-P energy: -46.630
bonds (distance) P-C4' energy: -51.572
flat angles C4'-P-C4' energy: -36.966
flat angles P-C4'-P energy: -33.528
tors. eta vs tors. theta energy: -8.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -271.158721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.158721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.158721 (E_RNA)
where:
Base-Base interactions energy: -128.902
where: short stacking energy: -88.683
Base-Backbone interact. energy: -1.116
local terms energy: -141.141177
where:
bonds (distance) C4'-P energy: -44.910
bonds (distance) P-C4' energy: -43.684
flat angles C4'-P-C4' energy: -31.006
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -9.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -929.542855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.542855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.542855 (E_RNA)
where:
Base-Base interactions energy: -645.771
where: short stacking energy: -263.723
Base-Backbone interact. energy: -1.590
local terms energy: -282.182387
where:
bonds (distance) C4'-P energy: -53.409
bonds (distance) P-C4' energy: -56.117
flat angles C4'-P-C4' energy: -61.642
flat angles P-C4'-P energy: -31.243
tors. eta vs tors. theta energy: -79.771
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: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -905.380075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.380075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.380075 (E_RNA)
where:
Base-Base interactions energy: -631.367
where: short stacking energy: -249.492
Base-Backbone interact. energy: -0.682
local terms energy: -273.331101
where:
bonds (distance) C4'-P energy: -53.023
bonds (distance) P-C4' energy: -53.342
flat angles C4'-P-C4' energy: -56.388
flat angles P-C4'-P energy: -33.383
tors. eta vs tors. theta energy: -77.195
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: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -834.896687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.896687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.896687 (E_RNA)
where:
Base-Base interactions energy: -592.434
where: short stacking energy: -239.853
Base-Backbone interact. energy: 1.306
local terms energy: -243.768987
where:
bonds (distance) C4'-P energy: -42.005
bonds (distance) P-C4' energy: -49.659
flat angles C4'-P-C4' energy: -50.656
flat angles P-C4'-P energy: -29.173
tors. eta vs tors. theta energy: -72.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -815.408431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.408431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.408431 (E_RNA)
where:
Base-Base interactions energy: -570.626
where: short stacking energy: -229.374
Base-Backbone interact. energy: -0.891
local terms energy: -243.891055
where:
bonds (distance) C4'-P energy: -41.822
bonds (distance) P-C4' energy: -53.326
flat angles C4'-P-C4' energy: -53.443
flat angles P-C4'-P energy: -31.647
tors. eta vs tors. theta energy: -63.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -761.981182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.981182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.981182 (E_RNA)
where:
Base-Base interactions energy: -540.138
where: short stacking energy: -218.339
Base-Backbone interact. energy: -0.738
local terms energy: -221.105260
where:
bonds (distance) C4'-P energy: -39.533
bonds (distance) P-C4' energy: -47.854
flat angles C4'-P-C4' energy: -52.799
flat angles P-C4'-P energy: -29.655
tors. eta vs tors. theta energy: -51.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -756.424109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.424109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.424109 (E_RNA)
where:
Base-Base interactions energy: -519.598
where: short stacking energy: -231.849
Base-Backbone interact. energy: -0.551
local terms energy: -236.275115
where:
bonds (distance) C4'-P energy: -43.156
bonds (distance) P-C4' energy: -48.508
flat angles C4'-P-C4' energy: -55.777
flat angles P-C4'-P energy: -26.816
tors. eta vs tors. theta energy: -62.018
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: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -680.345794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.345794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.345794 (E_RNA)
where:
Base-Base interactions energy: -455.223
where: short stacking energy: -206.725
Base-Backbone interact. energy: -1.071
local terms energy: -224.050854
where:
bonds (distance) C4'-P energy: -44.508
bonds (distance) P-C4' energy: -37.517
flat angles C4'-P-C4' energy: -50.757
flat angles P-C4'-P energy: -30.763
tors. eta vs tors. theta energy: -60.507
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: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -434.916626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.916626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.916626 (E_RNA)
where:
Base-Base interactions energy: -244.010
where: short stacking energy: -116.124
Base-Backbone interact. energy: -0.475
local terms energy: -190.431545
where:
bonds (distance) C4'-P energy: -46.594
bonds (distance) P-C4' energy: -45.489
flat angles C4'-P-C4' energy: -50.049
flat angles P-C4'-P energy: -30.080
tors. eta vs tors. theta energy: -18.219
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: 52
Temperature: 1.300000
Total energy: -324.632057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.632057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.632057 (E_RNA)
where:
Base-Base interactions energy: -160.801
where: short stacking energy: -76.645
Base-Backbone interact. energy: 3.052
local terms energy: -166.882382
where:
bonds (distance) C4'-P energy: -39.362
bonds (distance) P-C4' energy: -50.139
flat angles C4'-P-C4' energy: -51.318
flat angles P-C4'-P energy: -31.219
tors. eta vs tors. theta energy: 5.155
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: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -294.998869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.998869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.998869 (E_RNA)
where:
Base-Base interactions energy: -137.948
where: short stacking energy: -72.478
Base-Backbone interact. energy: -0.736
local terms energy: -156.314610
where:
bonds (distance) C4'-P energy: -50.245
bonds (distance) P-C4' energy: -38.609
flat angles C4'-P-C4' energy: -41.675
flat angles P-C4'-P energy: -29.766
tors. eta vs tors. theta energy: 3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -930.809417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.809417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.809417 (E_RNA)
where:
Base-Base interactions energy: -642.928
where: short stacking energy: -268.703
Base-Backbone interact. energy: -1.319
local terms energy: -286.561520
where:
bonds (distance) C4'-P energy: -54.519
bonds (distance) P-C4' energy: -58.902
flat angles C4'-P-C4' energy: -58.920
flat angles P-C4'-P energy: -39.526
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: 2, replica: 2
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -924.967831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.967831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.967831 (E_RNA)
where:
Base-Base interactions energy: -666.357
where: short stacking energy: -273.450
Base-Backbone interact. energy: -1.334
local terms energy: -257.277051
where:
bonds (distance) C4'-P energy: -43.930
bonds (distance) P-C4' energy: -46.431
flat angles C4'-P-C4' energy: -54.721
flat angles P-C4'-P energy: -38.006
tors. eta vs tors. theta energy: -74.190
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: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -846.986524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.986524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.986524 (E_RNA)
where:
Base-Base interactions energy: -598.550
where: short stacking energy: -240.990
Base-Backbone interact. energy: -1.050
local terms energy: -247.387027
where:
bonds (distance) C4'-P energy: -44.800
bonds (distance) P-C4' energy: -44.793
flat angles C4'-P-C4' energy: -55.982
flat angles P-C4'-P energy: -31.657
tors. eta vs tors. theta energy: -70.155
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: 53
Temperature: 1.050000
Total energy: -840.256074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.256074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.256074 (E_RNA)
where:
Base-Base interactions energy: -576.883
where: short stacking energy: -251.208
Base-Backbone interact. energy: 0.130
local terms energy: -263.503198
where:
bonds (distance) C4'-P energy: -49.236
bonds (distance) P-C4' energy: -58.545
flat angles C4'-P-C4' energy: -52.530
flat angles P-C4'-P energy: -36.306
tors. eta vs tors. theta energy: -66.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -749.191146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.191146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.191146 (E_RNA)
where:
Base-Base interactions energy: -497.999
where: short stacking energy: -205.910
Base-Backbone interact. energy: -2.335
local terms energy: -248.857880
where:
bonds (distance) C4'-P energy: -40.407
bonds (distance) P-C4' energy: -49.400
flat angles C4'-P-C4' energy: -57.155
flat angles P-C4'-P energy: -41.594
tors. eta vs tors. theta energy: -60.303
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: 6
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -759.081197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.081197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.081197 (E_RNA)
where:
Base-Base interactions energy: -506.722
where: short stacking energy: -222.799
Base-Backbone interact. energy: -1.527
local terms energy: -250.832803
where:
bonds (distance) C4'-P energy: -52.143
bonds (distance) P-C4' energy: -56.228
flat angles C4'-P-C4' energy: -51.421
flat angles P-C4'-P energy: -24.590
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: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -642.459409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.459409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.459409 (E_RNA)
where:
Base-Base interactions energy: -408.812
where: short stacking energy: -207.545
Base-Backbone interact. energy: 0.987
local terms energy: -234.635140
where:
bonds (distance) C4'-P energy: -48.569
bonds (distance) P-C4' energy: -50.627
flat angles C4'-P-C4' energy: -52.042
flat angles P-C4'-P energy: -29.948
tors. eta vs tors. theta energy: -53.449
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: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -442.981042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.981042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.981042 (E_RNA)
where:
Base-Base interactions energy: -268.179
where: short stacking energy: -129.486
Base-Backbone interact. energy: -0.519
local terms energy: -174.283004
where:
bonds (distance) C4'-P energy: -31.098
bonds (distance) P-C4' energy: -38.438
flat angles C4'-P-C4' energy: -42.922
flat angles P-C4'-P energy: -42.293
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: 9, replica: 8
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -316.049743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.049743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.049743 (E_RNA)
where:
Base-Base interactions energy: -157.669
where: short stacking energy: -100.295
Base-Backbone interact. energy: -0.001
local terms energy: -158.380033
where:
bonds (distance) C4'-P energy: -37.026
bonds (distance) P-C4' energy: -47.840
flat angles C4'-P-C4' energy: -49.067
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -6.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -219.294832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.294832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.294832 (E_RNA)
where:
Base-Base interactions energy: -76.631
where: short stacking energy: -74.451
Base-Backbone interact. energy: -0.368
local terms energy: -142.295734
where:
bonds (distance) C4'-P energy: -49.703
bonds (distance) P-C4' energy: -53.373
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -23.101
tors. eta vs tors. theta energy: 9.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -932.228613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.228613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.228613 (E_RNA)
where:
Base-Base interactions energy: -655.505
where: short stacking energy: -272.404
Base-Backbone interact. energy: -1.593
local terms energy: -275.130294
where:
bonds (distance) C4'-P energy: -47.690
bonds (distance) P-C4' energy: -53.476
flat angles C4'-P-C4' energy: -59.456
flat angles P-C4'-P energy: -34.786
tors. eta vs tors. theta energy: -79.723
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: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -905.130203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.130203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.130203 (E_RNA)
where:
Base-Base interactions energy: -624.372
where: short stacking energy: -258.099
Base-Backbone interact. energy: -1.218
local terms energy: -279.539623
where:
bonds (distance) C4'-P energy: -52.267
bonds (distance) P-C4' energy: -58.103
flat angles C4'-P-C4' energy: -56.058
flat angles P-C4'-P energy: -39.197
tors. eta vs tors. theta energy: -73.915
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: 3
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -867.555703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.555703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.555703 (E_RNA)
where:
Base-Base interactions energy: -602.914
where: short stacking energy: -246.072
Base-Backbone interact. energy: -2.821
local terms energy: -261.820823
where:
bonds (distance) C4'-P energy: -48.670
bonds (distance) P-C4' energy: -50.373
flat angles C4'-P-C4' energy: -60.061
flat angles P-C4'-P energy: -31.500
tors. eta vs tors. theta energy: -71.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -843.831505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.831505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.831505 (E_RNA)
where:
Base-Base interactions energy: -576.216
where: short stacking energy: -255.582
Base-Backbone interact. energy: -0.350
local terms energy: -267.265512
where:
bonds (distance) C4'-P energy: -49.330
bonds (distance) P-C4' energy: -48.395
flat angles C4'-P-C4' energy: -57.933
flat angles P-C4'-P energy: -36.982
tors. eta vs tors. theta energy: -74.626
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: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -784.258092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.258092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.258092 (E_RNA)
where:
Base-Base interactions energy: -515.559
where: short stacking energy: -230.341
Base-Backbone interact. energy: -1.229
local terms energy: -267.470553
where:
bonds (distance) C4'-P energy: -46.396
bonds (distance) P-C4' energy: -57.376
flat angles C4'-P-C4' energy: -52.774
flat angles P-C4'-P energy: -39.546
tors. eta vs tors. theta energy: -71.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -792.637475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.637475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.637475 (E_RNA)
where:
Base-Base interactions energy: -561.364
where: short stacking energy: -229.322
Base-Backbone interact. energy: -0.750
local terms energy: -230.522736
where:
bonds (distance) C4'-P energy: -51.002
bonds (distance) P-C4' energy: -46.978
flat angles C4'-P-C4' energy: -46.575
flat angles P-C4'-P energy: -26.290
tors. eta vs tors. theta energy: -59.678
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: 54
Temperature: 1.200000
Total energy: -623.649208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.649208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.649208 (E_RNA)
where:
Base-Base interactions energy: -408.450
where: short stacking energy: -177.032
Base-Backbone interact. energy: -0.036
local terms energy: -215.162934
where:
bonds (distance) C4'-P energy: -39.430
bonds (distance) P-C4' energy: -46.054
flat angles C4'-P-C4' energy: -43.383
flat angles P-C4'-P energy: -40.120
tors. eta vs tors. theta energy: -46.176
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: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -458.414217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.414217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.414217 (E_RNA)
where:
Base-Base interactions energy: -279.390
where: short stacking energy: -143.609
Base-Backbone interact. energy: 2.180
local terms energy: -181.203635
where:
bonds (distance) C4'-P energy: -36.521
bonds (distance) P-C4' energy: -50.385
flat angles C4'-P-C4' energy: -38.045
flat angles P-C4'-P energy: -25.657
tors. eta vs tors. theta energy: -30.595
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: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -319.243366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.243366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.243366 (E_RNA)
where:
Base-Base interactions energy: -145.966
where: short stacking energy: -90.673
Base-Backbone interact. energy: -0.881
local terms energy: -172.397037
where:
bonds (distance) C4'-P energy: -40.709
bonds (distance) P-C4' energy: -52.158
flat angles C4'-P-C4' energy: -36.840
flat angles P-C4'-P energy: -35.574
tors. eta vs tors. theta energy: -7.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -242.918023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.918023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.918023 (E_RNA)
where:
Base-Base interactions energy: -94.711
where: short stacking energy: -84.680
Base-Backbone interact. energy: -0.825
local terms energy: -147.381626
where:
bonds (distance) C4'-P energy: -39.063
bonds (distance) P-C4' energy: -38.752
flat angles C4'-P-C4' energy: -41.978
flat angles P-C4'-P energy: -18.418
tors. eta vs tors. theta energy: -9.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -944.401199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.401199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.401199 (E_RNA)
where:
Base-Base interactions energy: -651.978
where: short stacking energy: -265.707
Base-Backbone interact. energy: 1.096
local terms energy: -293.519652
where:
bonds (distance) C4'-P energy: -60.288
bonds (distance) P-C4' energy: -50.408
flat angles C4'-P-C4' energy: -57.982
flat angles P-C4'-P energy: -46.083
tors. eta vs tors. theta energy: -78.758
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: 2
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -910.612122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.612122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.612122 (E_RNA)
where:
Base-Base interactions energy: -635.585
where: short stacking energy: -248.919
Base-Backbone interact. energy: -2.732
local terms energy: -272.295872
where:
bonds (distance) C4'-P energy: -48.390
bonds (distance) P-C4' energy: -53.021
flat angles C4'-P-C4' energy: -61.674
flat angles P-C4'-P energy: -34.824
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: 3, replica: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -852.961076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.961076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.961076 (E_RNA)
where:
Base-Base interactions energy: -587.122
where: short stacking energy: -240.601
Base-Backbone interact. energy: -2.034
local terms energy: -263.805650
where:
bonds (distance) C4'-P energy: -42.802
bonds (distance) P-C4' energy: -52.015
flat angles C4'-P-C4' energy: -57.632
flat angles P-C4'-P energy: -38.211
tors. eta vs tors. theta energy: -73.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -831.140999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.140999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.140999 (E_RNA)
where:
Base-Base interactions energy: -558.092
where: short stacking energy: -233.994
Base-Backbone interact. energy: -0.909
local terms energy: -272.139101
where:
bonds (distance) C4'-P energy: -49.529
bonds (distance) P-C4' energy: -57.101
flat angles C4'-P-C4' energy: -62.026
flat angles P-C4'-P energy: -34.135
tors. eta vs tors. theta energy: -69.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -762.135327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.135327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.135327 (E_RNA)
where:
Base-Base interactions energy: -505.054
where: short stacking energy: -215.204
Base-Backbone interact. energy: -0.850
local terms energy: -256.232066
where:
bonds (distance) C4'-P energy: -51.795
bonds (distance) P-C4' energy: -47.905
flat angles C4'-P-C4' energy: -60.274
flat angles P-C4'-P energy: -34.453
tors. eta vs tors. theta energy: -61.805
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: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -795.388701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.388701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.388701 (E_RNA)
where:
Base-Base interactions energy: -565.600
where: short stacking energy: -225.910
Base-Backbone interact. energy: 1.478
local terms energy: -231.266950
where:
bonds (distance) C4'-P energy: -44.510
bonds (distance) P-C4' energy: -52.601
flat angles C4'-P-C4' energy: -46.932
flat angles P-C4'-P energy: -28.914
tors. eta vs tors. theta energy: -58.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -665.044992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.044992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.044992 (E_RNA)
where:
Base-Base interactions energy: -441.767
where: short stacking energy: -191.516
Base-Backbone interact. energy: 0.353
local terms energy: -223.630987
where:
bonds (distance) C4'-P energy: -53.965
bonds (distance) P-C4' energy: -44.538
flat angles C4'-P-C4' energy: -39.946
flat angles P-C4'-P energy: -35.309
tors. eta vs tors. theta energy: -49.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -476.400243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.400243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.400243 (E_RNA)
where:
Base-Base interactions energy: -283.825
where: short stacking energy: -134.618
Base-Backbone interact. energy: -0.738
local terms energy: -191.836727
where:
bonds (distance) C4'-P energy: -49.387
bonds (distance) P-C4' energy: -53.865
flat angles C4'-P-C4' energy: -40.516
flat angles P-C4'-P energy: -23.247
tors. eta vs tors. theta energy: -24.823
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: 55
Temperature: 1.300000
Total energy: -296.073045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.073045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.073045 (E_RNA)
where:
Base-Base interactions energy: -146.016
where: short stacking energy: -88.853
Base-Backbone interact. energy: -0.615
local terms energy: -149.441951
where:
bonds (distance) C4'-P energy: -44.020
bonds (distance) P-C4' energy: -48.477
flat angles C4'-P-C4' energy: -33.168
flat angles P-C4'-P energy: -26.078
tors. eta vs tors. theta energy: 2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -288.424200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.424200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.424200 (E_RNA)
where:
Base-Base interactions energy: -134.796
where: short stacking energy: -92.029
Base-Backbone interact. energy: -0.173
local terms energy: -153.455072
where:
bonds (distance) C4'-P energy: -49.838
bonds (distance) P-C4' energy: -45.774
flat angles C4'-P-C4' energy: -32.626
flat angles P-C4'-P energy: -27.762
tors. eta vs tors. theta energy: 2.545
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: 56
Temperature: 0.900000
Total energy: -932.536310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.536310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.536310 (E_RNA)
where:
Base-Base interactions energy: -652.071
where: short stacking energy: -264.298
Base-Backbone interact. energy: -2.251
local terms energy: -278.214024
where:
bonds (distance) C4'-P energy: -46.184
bonds (distance) P-C4' energy: -51.979
flat angles C4'-P-C4' energy: -62.139
flat angles P-C4'-P energy: -43.535
tors. eta vs tors. theta energy: -74.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -905.498864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.498864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.498864 (E_RNA)
where:
Base-Base interactions energy: -628.430
where: short stacking energy: -256.525
Base-Backbone interact. energy: -2.095
local terms energy: -274.973568
where:
bonds (distance) C4'-P energy: -45.673
bonds (distance) P-C4' energy: -52.511
flat angles C4'-P-C4' energy: -58.236
flat angles P-C4'-P energy: -42.964
tors. eta vs tors. theta energy: -75.589
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: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -866.573623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.573623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.573623 (E_RNA)
where:
Base-Base interactions energy: -590.042
where: short stacking energy: -254.466
Base-Backbone interact. energy: 0.993
local terms energy: -277.524996
where:
bonds (distance) C4'-P energy: -49.789
bonds (distance) P-C4' energy: -52.827
flat angles C4'-P-C4' energy: -60.575
flat angles P-C4'-P energy: -41.827
tors. eta vs tors. theta energy: -72.507
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: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -815.579958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.579958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.579958 (E_RNA)
where:
Base-Base interactions energy: -572.838
where: short stacking energy: -228.469
Base-Backbone interact. energy: 2.499
local terms energy: -245.240547
where:
bonds (distance) C4'-P energy: -35.424
bonds (distance) P-C4' energy: -48.210
flat angles C4'-P-C4' energy: -59.108
flat angles P-C4'-P energy: -35.311
tors. eta vs tors. theta energy: -67.188
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: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -773.174948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.174948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.174948 (E_RNA)
where:
Base-Base interactions energy: -522.113
where: short stacking energy: -223.725
Base-Backbone interact. energy: -1.303
local terms energy: -249.759462
where:
bonds (distance) C4'-P energy: -38.581
bonds (distance) P-C4' energy: -51.851
flat angles C4'-P-C4' energy: -54.901
flat angles P-C4'-P energy: -39.196
tors. eta vs tors. theta energy: -65.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -779.903431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.903431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.903431 (E_RNA)
where:
Base-Base interactions energy: -530.409
where: short stacking energy: -218.155
Base-Backbone interact. energy: -0.709
local terms energy: -248.786031
where:
bonds (distance) C4'-P energy: -42.508
bonds (distance) P-C4' energy: -47.569
flat angles C4'-P-C4' energy: -55.579
flat angles P-C4'-P energy: -34.296
tors. eta vs tors. theta energy: -68.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -686.064728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.064728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.064728 (E_RNA)
where:
Base-Base interactions energy: -455.683
where: short stacking energy: -208.328
Base-Backbone interact. energy: -1.133
local terms energy: -229.249674
where:
bonds (distance) C4'-P energy: -43.184
bonds (distance) P-C4' energy: -37.154
flat angles C4'-P-C4' energy: -50.439
flat angles P-C4'-P energy: -39.510
tors. eta vs tors. theta energy: -58.963
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: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -498.083650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.083650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.083650 (E_RNA)
where:
Base-Base interactions energy: -318.846
where: short stacking energy: -138.910
Base-Backbone interact. energy: 1.215
local terms energy: -180.452691
where:
bonds (distance) C4'-P energy: -37.541
bonds (distance) P-C4' energy: -49.324
flat angles C4'-P-C4' energy: -39.474
flat angles P-C4'-P energy: -25.630
tors. eta vs tors. theta energy: -28.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -251.732415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.732415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.732415 (E_RNA)
where:
Base-Base interactions energy: -104.134
where: short stacking energy: -52.945
Base-Backbone interact. energy: 1.633
local terms energy: -149.231491
where:
bonds (distance) C4'-P energy: -46.322
bonds (distance) P-C4' energy: -54.791
flat angles C4'-P-C4' energy: -36.157
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -0.126
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: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -264.673193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.673193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.673193 (E_RNA)
where:
Base-Base interactions energy: -121.638
where: short stacking energy: -68.802
Base-Backbone interact. energy: 2.197
local terms energy: -145.231762
where:
bonds (distance) C4'-P energy: -44.799
bonds (distance) P-C4' energy: -47.067
flat angles C4'-P-C4' energy: -40.545
flat angles P-C4'-P energy: -26.027
tors. eta vs tors. theta energy: 13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -944.225644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.225644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.225644 (E_RNA)
where:
Base-Base interactions energy: -654.680
where: short stacking energy: -258.852
Base-Backbone interact. energy: -2.151
local terms energy: -287.395105
where:
bonds (distance) C4'-P energy: -51.147
bonds (distance) P-C4' energy: -58.400
flat angles C4'-P-C4' energy: -60.940
flat angles P-C4'-P energy: -39.224
tors. eta vs tors. theta energy: -77.684
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: 2, replica: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -906.533692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.533692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.533692 (E_RNA)
where:
Base-Base interactions energy: -633.965
where: short stacking energy: -246.268
Base-Backbone interact. energy: -1.789
local terms energy: -270.779639
where:
bonds (distance) C4'-P energy: -55.839
bonds (distance) P-C4' energy: -47.258
flat angles C4'-P-C4' energy: -50.843
flat angles P-C4'-P energy: -47.763
tors. eta vs tors. theta energy: -69.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -882.733769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.733769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.733769 (E_RNA)
where:
Base-Base interactions energy: -590.742
where: short stacking energy: -260.534
Base-Backbone interact. energy: -2.255
local terms energy: -289.736706
where:
bonds (distance) C4'-P energy: -55.350
bonds (distance) P-C4' energy: -54.531
flat angles C4'-P-C4' energy: -54.768
flat angles P-C4'-P energy: -49.249
tors. eta vs tors. theta energy: -75.837
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: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -796.089201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.089201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.089201 (E_RNA)
where:
Base-Base interactions energy: -553.169
where: short stacking energy: -231.270
Base-Backbone interact. energy: -0.970
local terms energy: -241.950687
where:
bonds (distance) C4'-P energy: -49.666
bonds (distance) P-C4' energy: -39.711
flat angles C4'-P-C4' energy: -48.703
flat angles P-C4'-P energy: -38.561
tors. eta vs tors. theta energy: -65.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -781.399967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.399967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.399967 (E_RNA)
where:
Base-Base interactions energy: -527.086
where: short stacking energy: -209.780
Base-Backbone interact. energy: -1.746
local terms energy: -252.568243
where:
bonds (distance) C4'-P energy: -51.342
bonds (distance) P-C4' energy: -55.595
flat angles C4'-P-C4' energy: -48.959
flat angles P-C4'-P energy: -32.701
tors. eta vs tors. theta energy: -63.971
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: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -786.288695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.288695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.288695 (E_RNA)
where:
Base-Base interactions energy: -541.234
where: short stacking energy: -242.485
Base-Backbone interact. energy: 2.525
local terms energy: -247.579218
where:
bonds (distance) C4'-P energy: -36.704
bonds (distance) P-C4' energy: -46.263
flat angles C4'-P-C4' energy: -50.698
flat angles P-C4'-P energy: -42.513
tors. eta vs tors. theta energy: -71.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -680.016601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.016601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.016601 (E_RNA)
where:
Base-Base interactions energy: -451.127
where: short stacking energy: -192.361
Base-Backbone interact. energy: 0.572
local terms energy: -229.462335
where:
bonds (distance) C4'-P energy: -44.652
bonds (distance) P-C4' energy: -53.312
flat angles C4'-P-C4' energy: -55.311
flat angles P-C4'-P energy: -22.696
tors. eta vs tors. theta energy: -53.491
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: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -470.582422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.582422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.582422 (E_RNA)
where:
Base-Base interactions energy: -297.708
where: short stacking energy: -140.626
Base-Backbone interact. energy: -0.862
local terms energy: -172.012177
where:
bonds (distance) C4'-P energy: -36.873
bonds (distance) P-C4' energy: -45.445
flat angles C4'-P-C4' energy: -38.158
flat angles P-C4'-P energy: -31.441
tors. eta vs tors. theta energy: -20.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -241.586962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.586962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.586962 (E_RNA)
where:
Base-Base interactions energy: -92.056
where: short stacking energy: -88.003
Base-Backbone interact. energy: -0.709
local terms energy: -148.822780
where:
bonds (distance) C4'-P energy: -41.523
bonds (distance) P-C4' energy: -45.362
flat angles C4'-P-C4' energy: -23.973
flat angles P-C4'-P energy: -36.104
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -281.212185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.212185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.212185 (E_RNA)
where:
Base-Base interactions energy: -127.549
where: short stacking energy: -74.720
Base-Backbone interact. energy: 2.415
local terms energy: -156.077846
where:
bonds (distance) C4'-P energy: -48.440
bonds (distance) P-C4' energy: -45.173
flat angles C4'-P-C4' energy: -39.518
flat angles P-C4'-P energy: -16.549
tors. eta vs tors. theta energy: -6.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -949.672677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.672677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.672677 (E_RNA)
where:
Base-Base interactions energy: -661.546
where: short stacking energy: -276.226
Base-Backbone interact. energy: -2.885
local terms energy: -285.241999
where:
bonds (distance) C4'-P energy: -56.260
bonds (distance) P-C4' energy: -47.711
flat angles C4'-P-C4' energy: -57.631
flat angles P-C4'-P energy: -43.698
tors. eta vs tors. theta energy: -79.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -902.664954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.664954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.664954 (E_RNA)
where:
Base-Base interactions energy: -639.652
where: short stacking energy: -249.804
Base-Backbone interact. energy: -1.282
local terms energy: -261.730395
where:
bonds (distance) C4'-P energy: -44.641
bonds (distance) P-C4' energy: -54.579
flat angles C4'-P-C4' energy: -58.034
flat angles P-C4'-P energy: -36.199
tors. eta vs tors. theta energy: -68.277
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: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -866.200106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.200106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.200106 (E_RNA)
where:
Base-Base interactions energy: -581.961
where: short stacking energy: -258.998
Base-Backbone interact. energy: -1.334
local terms energy: -282.905496
where:
bonds (distance) C4'-P energy: -50.524
bonds (distance) P-C4' energy: -53.910
flat angles C4'-P-C4' energy: -54.807
flat angles P-C4'-P energy: -45.172
tors. eta vs tors. theta energy: -78.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -799.151572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.151572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.151572 (E_RNA)
where:
Base-Base interactions energy: -552.716
where: short stacking energy: -231.467
Base-Backbone interact. energy: -1.579
local terms energy: -244.856373
where:
bonds (distance) C4'-P energy: -47.620
bonds (distance) P-C4' energy: -49.084
flat angles C4'-P-C4' energy: -55.339
flat angles P-C4'-P energy: -29.458
tors. eta vs tors. theta energy: -63.355
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: 1
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -799.679372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.679372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.679372 (E_RNA)
where:
Base-Base interactions energy: -550.604
where: short stacking energy: -207.754
Base-Backbone interact. energy: 0.833
local terms energy: -249.908770
where:
bonds (distance) C4'-P energy: -50.925
bonds (distance) P-C4' energy: -50.005
flat angles C4'-P-C4' energy: -44.205
flat angles P-C4'-P energy: -34.968
tors. eta vs tors. theta energy: -69.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -719.240494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.240494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.240494 (E_RNA)
where:
Base-Base interactions energy: -498.600
where: short stacking energy: -214.701
Base-Backbone interact. energy: -1.122
local terms energy: -219.518473
where:
bonds (distance) C4'-P energy: -40.946
bonds (distance) P-C4' energy: -48.313
flat angles C4'-P-C4' energy: -46.006
flat angles P-C4'-P energy: -26.279
tors. eta vs tors. theta energy: -57.975
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: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -710.288773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.288773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.288773 (E_RNA)
where:
Base-Base interactions energy: -468.351
where: short stacking energy: -215.252
Base-Backbone interact. energy: 0.893
local terms energy: -242.831053
where:
bonds (distance) C4'-P energy: -47.999
bonds (distance) P-C4' energy: -46.644
flat angles C4'-P-C4' energy: -59.359
flat angles P-C4'-P energy: -29.767
tors. eta vs tors. theta energy: -59.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -471.493841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.493841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.493841 (E_RNA)
where:
Base-Base interactions energy: -282.557
where: short stacking energy: -125.935
Base-Backbone interact. energy: -0.325
local terms energy: -188.611465
where:
bonds (distance) C4'-P energy: -39.559
bonds (distance) P-C4' energy: -48.535
flat angles C4'-P-C4' energy: -49.214
flat angles P-C4'-P energy: -26.523
tors. eta vs tors. theta energy: -24.780
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: 58
Temperature: 1.300000
Total energy: -312.459507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.459507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.459507 (E_RNA)
where:
Base-Base interactions energy: -166.398
where: short stacking energy: -102.038
Base-Backbone interact. energy: -0.487
local terms energy: -145.574675
where:
bonds (distance) C4'-P energy: -33.599
bonds (distance) P-C4' energy: -41.353
flat angles C4'-P-C4' energy: -32.373
flat angles P-C4'-P energy: -31.709
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -228.282596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.282596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.282596 (E_RNA)
where:
Base-Base interactions energy: -94.872
where: short stacking energy: -71.261
Base-Backbone interact. energy: 2.048
local terms energy: -135.458837
where:
bonds (distance) C4'-P energy: -43.109
bonds (distance) P-C4' energy: -38.849
flat angles C4'-P-C4' energy: -37.930
flat angles P-C4'-P energy: -17.360
tors. eta vs tors. theta energy: 1.789
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: 1, replica: 5
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -943.160857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.160857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.160857 (E_RNA)
where:
Base-Base interactions energy: -655.956
where: short stacking energy: -267.844
Base-Backbone interact. energy: 0.112
local terms energy: -287.317446
where:
bonds (distance) C4'-P energy: -56.552
bonds (distance) P-C4' energy: -49.407
flat angles C4'-P-C4' energy: -58.688
flat angles P-C4'-P energy: -44.092
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: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -912.655061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.655061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.655061 (E_RNA)
where:
Base-Base interactions energy: -629.195
where: short stacking energy: -245.366
Base-Backbone interact. energy: -0.504
local terms energy: -282.956285
where:
bonds (distance) C4'-P energy: -50.936
bonds (distance) P-C4' energy: -57.998
flat angles C4'-P-C4' energy: -58.586
flat angles P-C4'-P energy: -40.752
tors. eta vs tors. theta energy: -74.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -871.668887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.668887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.668887 (E_RNA)
where:
Base-Base interactions energy: -607.591
where: short stacking energy: -266.299
Base-Backbone interact. energy: -0.970
local terms energy: -263.108549
where:
bonds (distance) C4'-P energy: -51.049
bonds (distance) P-C4' energy: -46.871
flat angles C4'-P-C4' energy: -54.700
flat angles P-C4'-P energy: -41.368
tors. eta vs tors. theta energy: -69.120
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: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -814.992213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.992213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.992213 (E_RNA)
where:
Base-Base interactions energy: -527.703
where: short stacking energy: -227.183
Base-Backbone interact. energy: -0.576
local terms energy: -286.713483
where:
bonds (distance) C4'-P energy: -56.201
bonds (distance) P-C4' energy: -53.798
flat angles C4'-P-C4' energy: -63.571
flat angles P-C4'-P energy: -37.835
tors. eta vs tors. theta energy: -75.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -786.331347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.331347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.331347 (E_RNA)
where:
Base-Base interactions energy: -526.046
where: short stacking energy: -216.313
Base-Backbone interact. energy: 0.638
local terms energy: -260.923283
where:
bonds (distance) C4'-P energy: -50.107
bonds (distance) P-C4' energy: -57.419
flat angles C4'-P-C4' energy: -55.392
flat angles P-C4'-P energy: -39.486
tors. eta vs tors. theta energy: -58.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -687.141745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.141745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.141745 (E_RNA)
where:
Base-Base interactions energy: -442.489
where: short stacking energy: -185.469
Base-Backbone interact. energy: 0.210
local terms energy: -244.862343
where:
bonds (distance) C4'-P energy: -41.607
bonds (distance) P-C4' energy: -53.361
flat angles C4'-P-C4' energy: -59.980
flat angles P-C4'-P energy: -35.733
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: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -736.174608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.174608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.174608 (E_RNA)
where:
Base-Base interactions energy: -496.552
where: short stacking energy: -209.214
Base-Backbone interact. energy: -0.430
local terms energy: -239.192915
where:
bonds (distance) C4'-P energy: -36.941
bonds (distance) P-C4' energy: -48.875
flat angles C4'-P-C4' energy: -56.677
flat angles P-C4'-P energy: -34.200
tors. eta vs tors. theta energy: -62.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -500.359121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.359121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.359121 (E_RNA)
where:
Base-Base interactions energy: -304.976
where: short stacking energy: -145.881
Base-Backbone interact. energy: -1.153
local terms energy: -194.229880
where:
bonds (distance) C4'-P energy: -42.751
bonds (distance) P-C4' energy: -48.409
flat angles C4'-P-C4' energy: -44.333
flat angles P-C4'-P energy: -31.056
tors. eta vs tors. theta energy: -27.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -364.874652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.874652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.874652 (E_RNA)
where:
Base-Base interactions energy: -186.989
where: short stacking energy: -131.546
Base-Backbone interact. energy: -0.287
local terms energy: -177.598533
where:
bonds (distance) C4'-P energy: -48.028
bonds (distance) P-C4' energy: -42.747
flat angles C4'-P-C4' energy: -52.129
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -235.966738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.966738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.966738 (E_RNA)
where:
Base-Base interactions energy: -115.799
where: short stacking energy: -60.560
Base-Backbone interact. energy: -1.218
local terms energy: -118.949562
where:
bonds (distance) C4'-P energy: -38.822
bonds (distance) P-C4' energy: -31.930
flat angles C4'-P-C4' energy: -42.754
flat angles P-C4'-P energy: -15.282
tors. eta vs tors. theta energy: 9.839
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: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -927.412200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.412200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.412200 (E_RNA)
where:
Base-Base interactions energy: -663.327
where: short stacking energy: -279.470
Base-Backbone interact. energy: -1.269
local terms energy: -262.816644
where:
bonds (distance) C4'-P energy: -51.370
bonds (distance) P-C4' energy: -43.065
flat angles C4'-P-C4' energy: -57.316
flat angles P-C4'-P energy: -33.313
tors. eta vs tors. theta energy: -77.754
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: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -897.743496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.743496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.743496 (E_RNA)
where:
Base-Base interactions energy: -639.018
where: short stacking energy: -254.764
Base-Backbone interact. energy: -2.309
local terms energy: -256.416090
where:
bonds (distance) C4'-P energy: -45.790
bonds (distance) P-C4' energy: -46.986
flat angles C4'-P-C4' energy: -61.570
flat angles P-C4'-P energy: -31.339
tors. eta vs tors. theta energy: -70.731
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: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -906.704688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.704688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.704688 (E_RNA)
where:
Base-Base interactions energy: -617.665
where: short stacking energy: -263.386
Base-Backbone interact. energy: -0.144
local terms energy: -288.896175
where:
bonds (distance) C4'-P energy: -55.614
bonds (distance) P-C4' energy: -55.280
flat angles C4'-P-C4' energy: -59.498
flat angles P-C4'-P energy: -40.825
tors. eta vs tors. theta energy: -77.679
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: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -762.984453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.984453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.984453 (E_RNA)
where:
Base-Base interactions energy: -506.552
where: short stacking energy: -228.034
Base-Backbone interact. energy: 1.672
local terms energy: -258.104923
where:
bonds (distance) C4'-P energy: -48.205
bonds (distance) P-C4' energy: -49.980
flat angles C4'-P-C4' energy: -55.240
flat angles P-C4'-P energy: -30.209
tors. eta vs tors. theta energy: -74.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -787.684383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.684383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.684383 (E_RNA)
where:
Base-Base interactions energy: -541.870
where: short stacking energy: -226.638
Base-Backbone interact. energy: -1.711
local terms energy: -244.103272
where:
bonds (distance) C4'-P energy: -47.129
bonds (distance) P-C4' energy: -48.811
flat angles C4'-P-C4' energy: -54.706
flat angles P-C4'-P energy: -28.214
tors. eta vs tors. theta energy: -65.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -717.591010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.591010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.591010 (E_RNA)
where:
Base-Base interactions energy: -474.070
where: short stacking energy: -206.034
Base-Backbone interact. energy: -0.904
local terms energy: -242.616215
where:
bonds (distance) C4'-P energy: -48.665
bonds (distance) P-C4' energy: -49.064
flat angles C4'-P-C4' energy: -54.777
flat angles P-C4'-P energy: -31.816
tors. eta vs tors. theta energy: -58.294
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: 7
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -760.585365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.585365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.585365 (E_RNA)
where:
Base-Base interactions energy: -497.399
where: short stacking energy: -210.282
Base-Backbone interact. energy: -0.890
local terms energy: -262.295695
where:
bonds (distance) C4'-P energy: -49.625
bonds (distance) P-C4' energy: -46.573
flat angles C4'-P-C4' energy: -55.476
flat angles P-C4'-P energy: -44.200
tors. eta vs tors. theta energy: -66.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -443.337908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.337908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.337908 (E_RNA)
where:
Base-Base interactions energy: -274.798
where: short stacking energy: -125.864
Base-Backbone interact. energy: 0.384
local terms energy: -168.924277
where:
bonds (distance) C4'-P energy: -44.332
bonds (distance) P-C4' energy: -42.400
flat angles C4'-P-C4' energy: -40.262
flat angles P-C4'-P energy: -26.379
tors. eta vs tors. theta energy: -15.551
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: 9, replica: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -310.608541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.608541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.608541 (E_RNA)
where:
Base-Base interactions energy: -147.323
where: short stacking energy: -97.236
Base-Backbone interact. energy: -1.067
local terms energy: -162.218898
where:
bonds (distance) C4'-P energy: -37.905
bonds (distance) P-C4' energy: -43.249
flat angles C4'-P-C4' energy: -45.369
flat angles P-C4'-P energy: -24.716
tors. eta vs tors. theta energy: -10.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -237.122111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.122111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.122111 (E_RNA)
where:
Base-Base interactions energy: -92.286
where: short stacking energy: -70.840
Base-Backbone interact. energy: -0.036
local terms energy: -144.800154
where:
bonds (distance) C4'-P energy: -45.762
bonds (distance) P-C4' energy: -54.574
flat angles C4'-P-C4' energy: -37.394
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: 9.302
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: 61
Temperature: 0.900000
Total energy: -925.104700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.104700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.104700 (E_RNA)
where:
Base-Base interactions energy: -650.046
where: short stacking energy: -271.211
Base-Backbone interact. energy: -1.122
local terms energy: -273.936446
where:
bonds (distance) C4'-P energy: -50.270
bonds (distance) P-C4' energy: -55.982
flat angles C4'-P-C4' energy: -54.457
flat angles P-C4'-P energy: -34.417
tors. eta vs tors. theta energy: -78.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -909.992341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.992341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.992341 (E_RNA)
where:
Base-Base interactions energy: -639.443
where: short stacking energy: -258.317
Base-Backbone interact. energy: -2.138
local terms energy: -268.410372
where:
bonds (distance) C4'-P energy: -51.371
bonds (distance) P-C4' energy: -48.324
flat angles C4'-P-C4' energy: -57.189
flat angles P-C4'-P energy: -36.026
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: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -866.511123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.511123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.511123 (E_RNA)
where:
Base-Base interactions energy: -593.645
where: short stacking energy: -247.741
Base-Backbone interact. energy: -1.265
local terms energy: -271.601466
where:
bonds (distance) C4'-P energy: -53.755
bonds (distance) P-C4' energy: -54.016
flat angles C4'-P-C4' energy: -54.517
flat angles P-C4'-P energy: -32.781
tors. eta vs tors. theta energy: -76.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -808.561590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.561590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.561590 (E_RNA)
where:
Base-Base interactions energy: -547.756
where: short stacking energy: -212.363
Base-Backbone interact. energy: -2.423
local terms energy: -258.382789
where:
bonds (distance) C4'-P energy: -43.676
bonds (distance) P-C4' energy: -61.972
flat angles C4'-P-C4' energy: -64.193
flat angles P-C4'-P energy: -32.677
tors. eta vs tors. theta energy: -55.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -769.115544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.115544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.115544 (E_RNA)
where:
Base-Base interactions energy: -529.146
where: short stacking energy: -207.996
Base-Backbone interact. energy: -2.142
local terms energy: -237.827418
where:
bonds (distance) C4'-P energy: -46.376
bonds (distance) P-C4' energy: -50.926
flat angles C4'-P-C4' energy: -49.227
flat angles P-C4'-P energy: -31.055
tors. eta vs tors. theta energy: -60.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -721.845120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.845120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.845120 (E_RNA)
where:
Base-Base interactions energy: -469.004
where: short stacking energy: -207.164
Base-Backbone interact. energy: 1.090
local terms energy: -253.931161
where:
bonds (distance) C4'-P energy: -57.395
bonds (distance) P-C4' energy: -43.288
flat angles C4'-P-C4' energy: -49.365
flat angles P-C4'-P energy: -37.999
tors. eta vs tors. theta energy: -65.884
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: 61
Temperature: 1.200000
Total energy: -711.767814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.767814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.767814 (E_RNA)
where:
Base-Base interactions energy: -477.292
where: short stacking energy: -210.843
Base-Backbone interact. energy: -1.651
local terms energy: -232.825056
where:
bonds (distance) C4'-P energy: -48.592
bonds (distance) P-C4' energy: -32.067
flat angles C4'-P-C4' energy: -60.502
flat angles P-C4'-P energy: -30.398
tors. eta vs tors. theta energy: -61.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -492.866047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.866047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.866047 (E_RNA)
where:
Base-Base interactions energy: -295.919
where: short stacking energy: -142.495
Base-Backbone interact. energy: -0.983
local terms energy: -195.964116
where:
bonds (distance) C4'-P energy: -37.689
bonds (distance) P-C4' energy: -46.908
flat angles C4'-P-C4' energy: -50.598
flat angles P-C4'-P energy: -32.106
tors. eta vs tors. theta energy: -28.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -305.532786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.532786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.532786 (E_RNA)
where:
Base-Base interactions energy: -151.437
where: short stacking energy: -91.951
Base-Backbone interact. energy: -0.639
local terms energy: -153.456536
where:
bonds (distance) C4'-P energy: -47.667
bonds (distance) P-C4' energy: -47.136
flat angles C4'-P-C4' energy: -28.606
flat angles P-C4'-P energy: -32.914
tors. eta vs tors. theta energy: 2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -224.699246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.699246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.699246 (E_RNA)
where:
Base-Base interactions energy: -71.245
where: short stacking energy: -64.854
Base-Backbone interact. energy: -0.403
local terms energy: -153.051191
where:
bonds (distance) C4'-P energy: -42.868
bonds (distance) P-C4' energy: -53.512
flat angles C4'-P-C4' energy: -32.264
flat angles P-C4'-P energy: -20.617
tors. eta vs tors. theta energy: -3.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -947.885346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.885346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.885346 (E_RNA)
where:
Base-Base interactions energy: -662.440
where: short stacking energy: -264.207
Base-Backbone interact. energy: 1.620
local terms energy: -287.065079
where:
bonds (distance) C4'-P energy: -53.627
bonds (distance) P-C4' energy: -56.724
flat angles C4'-P-C4' energy: -62.787
flat angles P-C4'-P energy: -39.535
tors. eta vs tors. theta energy: -74.393
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: 62
Temperature: 0.950000
Total energy: -901.403765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.403765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.403765 (E_RNA)
where:
Base-Base interactions energy: -627.671
where: short stacking energy: -259.984
Base-Backbone interact. energy: -3.199
local terms energy: -270.533753
where:
bonds (distance) C4'-P energy: -47.340
bonds (distance) P-C4' energy: -50.138
flat angles C4'-P-C4' energy: -58.699
flat angles P-C4'-P energy: -35.517
tors. eta vs tors. theta energy: -78.840
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: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -848.626506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.626506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.626506 (E_RNA)
where:
Base-Base interactions energy: -579.079
where: short stacking energy: -237.631
Base-Backbone interact. energy: -2.153
local terms energy: -267.393647
where:
bonds (distance) C4'-P energy: -56.327
bonds (distance) P-C4' energy: -40.958
flat angles C4'-P-C4' energy: -60.072
flat angles P-C4'-P energy: -38.605
tors. eta vs tors. theta energy: -71.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -861.963580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.963580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.963580 (E_RNA)
where:
Base-Base interactions energy: -585.050
where: short stacking energy: -270.392
Base-Backbone interact. energy: -1.905
local terms energy: -275.009050
where:
bonds (distance) C4'-P energy: -56.057
bonds (distance) P-C4' energy: -51.767
flat angles C4'-P-C4' energy: -58.087
flat angles P-C4'-P energy: -37.663
tors. eta vs tors. theta energy: -71.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -746.943933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.943933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.943933 (E_RNA)
where:
Base-Base interactions energy: -497.283
where: short stacking energy: -214.796
Base-Backbone interact. energy: 0.061
local terms energy: -249.722675
where:
bonds (distance) C4'-P energy: -46.374
bonds (distance) P-C4' energy: -44.121
flat angles C4'-P-C4' energy: -50.174
flat angles P-C4'-P energy: -41.207
tors. eta vs tors. theta energy: -67.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -763.713972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.713972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.713972 (E_RNA)
where:
Base-Base interactions energy: -514.502
where: short stacking energy: -214.516
Base-Backbone interact. energy: -0.957
local terms energy: -248.255304
where:
bonds (distance) C4'-P energy: -40.429
bonds (distance) P-C4' energy: -59.094
flat angles C4'-P-C4' energy: -50.395
flat angles P-C4'-P energy: -34.016
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: 7, replica: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -700.921564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.921564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.921564 (E_RNA)
where:
Base-Base interactions energy: -479.498
where: short stacking energy: -187.888
Base-Backbone interact. energy: -0.263
local terms energy: -221.160202
where:
bonds (distance) C4'-P energy: -38.136
bonds (distance) P-C4' energy: -50.359
flat angles C4'-P-C4' energy: -48.212
flat angles P-C4'-P energy: -36.666
tors. eta vs tors. theta energy: -47.787
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: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -496.099208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.099208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.099208 (E_RNA)
where:
Base-Base interactions energy: -304.652
where: short stacking energy: -159.208
Base-Backbone interact. energy: -1.194
local terms energy: -190.254050
where:
bonds (distance) C4'-P energy: -41.895
bonds (distance) P-C4' energy: -40.997
flat angles C4'-P-C4' energy: -40.753
flat angles P-C4'-P energy: -28.622
tors. eta vs tors. theta energy: -37.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -337.661417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.661417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.661417 (E_RNA)
where:
Base-Base interactions energy: -160.929
where: short stacking energy: -102.985
Base-Backbone interact. energy: 4.379
local terms energy: -181.111706
where:
bonds (distance) C4'-P energy: -50.607
bonds (distance) P-C4' energy: -50.682
flat angles C4'-P-C4' energy: -34.727
flat angles P-C4'-P energy: -33.920
tors. eta vs tors. theta energy: -11.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -238.774490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.774490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.774490 (E_RNA)
where:
Base-Base interactions energy: -89.077
where: short stacking energy: -71.519
Base-Backbone interact. energy: -0.782
local terms energy: -148.915306
where:
bonds (distance) C4'-P energy: -51.515
bonds (distance) P-C4' energy: -55.342
flat angles C4'-P-C4' energy: -26.288
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -8.179
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: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -937.476294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.476294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.476294 (E_RNA)
where:
Base-Base interactions energy: -650.023
where: short stacking energy: -253.652
Base-Backbone interact. energy: 1.470
local terms energy: -288.923526
where:
bonds (distance) C4'-P energy: -60.420
bonds (distance) P-C4' energy: -56.984
flat angles C4'-P-C4' energy: -56.195
flat angles P-C4'-P energy: -42.438
tors. eta vs tors. theta energy: -72.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -899.947639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.947639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.947639 (E_RNA)
where:
Base-Base interactions energy: -624.083
where: short stacking energy: -252.973
Base-Backbone interact. energy: -1.619
local terms energy: -274.245877
where:
bonds (distance) C4'-P energy: -47.423
bonds (distance) P-C4' energy: -51.457
flat angles C4'-P-C4' energy: -54.471
flat angles P-C4'-P energy: -44.272
tors. eta vs tors. theta energy: -76.623
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: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -860.415172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.415172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.415172 (E_RNA)
where:
Base-Base interactions energy: -590.687
where: short stacking energy: -251.488
Base-Backbone interact. energy: -2.442
local terms energy: -267.285964
where:
bonds (distance) C4'-P energy: -52.404
bonds (distance) P-C4' energy: -45.777
flat angles C4'-P-C4' energy: -61.213
flat angles P-C4'-P energy: -31.365
tors. eta vs tors. theta energy: -76.526
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: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -847.573878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.573878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.573878 (E_RNA)
where:
Base-Base interactions energy: -589.063
where: short stacking energy: -249.436
Base-Backbone interact. energy: -0.142
local terms energy: -258.368874
where:
bonds (distance) C4'-P energy: -51.931
bonds (distance) P-C4' energy: -53.318
flat angles C4'-P-C4' energy: -58.509
flat angles P-C4'-P energy: -26.163
tors. eta vs tors. theta energy: -68.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -745.184175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.184175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.184175 (E_RNA)
where:
Base-Base interactions energy: -504.931
where: short stacking energy: -222.130
Base-Backbone interact. energy: 1.026
local terms energy: -241.279249
where:
bonds (distance) C4'-P energy: -37.955
bonds (distance) P-C4' energy: -51.496
flat angles C4'-P-C4' energy: -55.856
flat angles P-C4'-P energy: -34.637
tors. eta vs tors. theta energy: -61.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -789.676884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.676884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.676884 (E_RNA)
where:
Base-Base interactions energy: -538.322
where: short stacking energy: -229.432
Base-Backbone interact. energy: -2.128
local terms energy: -249.226187
where:
bonds (distance) C4'-P energy: -45.243
bonds (distance) P-C4' energy: -50.450
flat angles C4'-P-C4' energy: -50.389
flat angles P-C4'-P energy: -27.949
tors. eta vs tors. theta energy: -75.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -706.284044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.284044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.284044 (E_RNA)
where:
Base-Base interactions energy: -474.063
where: short stacking energy: -207.025
Base-Backbone interact. energy: -2.803
local terms energy: -229.417222
where:
bonds (distance) C4'-P energy: -36.855
bonds (distance) P-C4' energy: -49.453
flat angles C4'-P-C4' energy: -58.017
flat angles P-C4'-P energy: -31.127
tors. eta vs tors. theta energy: -53.966
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: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -461.094808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.094808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.094808 (E_RNA)
where:
Base-Base interactions energy: -268.626
where: short stacking energy: -134.082
Base-Backbone interact. energy: -0.417
local terms energy: -192.051386
where:
bonds (distance) C4'-P energy: -44.717
bonds (distance) P-C4' energy: -44.818
flat angles C4'-P-C4' energy: -41.105
flat angles P-C4'-P energy: -30.883
tors. eta vs tors. theta energy: -30.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -298.960951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.960951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.960951 (E_RNA)
where:
Base-Base interactions energy: -160.705
where: short stacking energy: -99.809
Base-Backbone interact. energy: -0.924
local terms energy: -137.332697
where:
bonds (distance) C4'-P energy: -36.802
bonds (distance) P-C4' energy: -35.831
flat angles C4'-P-C4' energy: -42.590
flat angles P-C4'-P energy: -23.544
tors. eta vs tors. theta energy: 1.434
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: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -226.722882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.722882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.722882 (E_RNA)
where:
Base-Base interactions energy: -80.210
where: short stacking energy: -59.957
Base-Backbone interact. energy: 0.950
local terms energy: -147.462370
where:
bonds (distance) C4'-P energy: -37.430
bonds (distance) P-C4' energy: -50.351
flat angles C4'-P-C4' energy: -34.866
flat angles P-C4'-P energy: -28.788
tors. eta vs tors. theta energy: 3.972
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: 5
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -920.852274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.852274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.852274 (E_RNA)
where:
Base-Base interactions energy: -643.971
where: short stacking energy: -248.579
Base-Backbone interact. energy: -1.092
local terms energy: -275.788898
where:
bonds (distance) C4'-P energy: -50.185
bonds (distance) P-C4' energy: -58.773
flat angles C4'-P-C4' energy: -57.070
flat angles P-C4'-P energy: -42.020
tors. eta vs tors. theta energy: -67.741
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: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -898.140270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.140270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.140270 (E_RNA)
where:
Base-Base interactions energy: -615.422
where: short stacking energy: -253.217
Base-Backbone interact. energy: -1.664
local terms energy: -281.054306
where:
bonds (distance) C4'-P energy: -57.513
bonds (distance) P-C4' energy: -54.047
flat angles C4'-P-C4' energy: -63.284
flat angles P-C4'-P energy: -29.841
tors. eta vs tors. theta energy: -76.370
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: 64
Temperature: 1.000000
Total energy: -840.535599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.535599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.535599 (E_RNA)
where:
Base-Base interactions energy: -585.324
where: short stacking energy: -234.266
Base-Backbone interact. energy: -1.376
local terms energy: -253.835749
where:
bonds (distance) C4'-P energy: -45.429
bonds (distance) P-C4' energy: -49.906
flat angles C4'-P-C4' energy: -52.468
flat angles P-C4'-P energy: -39.743
tors. eta vs tors. theta energy: -66.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -844.379271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.379271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.379271 (E_RNA)
where:
Base-Base interactions energy: -585.705
where: short stacking energy: -246.000
Base-Backbone interact. energy: -0.362
local terms energy: -258.312757
where:
bonds (distance) C4'-P energy: -48.741
bonds (distance) P-C4' energy: -44.174
flat angles C4'-P-C4' energy: -52.102
flat angles P-C4'-P energy: -33.868
tors. eta vs tors. theta energy: -79.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -787.964507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.964507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.964507 (E_RNA)
where:
Base-Base interactions energy: -542.956
where: short stacking energy: -227.099
Base-Backbone interact. energy: -2.797
local terms energy: -242.211017
where:
bonds (distance) C4'-P energy: -45.252
bonds (distance) P-C4' energy: -44.485
flat angles C4'-P-C4' energy: -61.125
flat angles P-C4'-P energy: -28.266
tors. eta vs tors. theta energy: -63.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -717.980904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.980904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.980904 (E_RNA)
where:
Base-Base interactions energy: -474.807
where: short stacking energy: -201.711
Base-Backbone interact. energy: 0.239
local terms energy: -243.412849
where:
bonds (distance) C4'-P energy: -45.536
bonds (distance) P-C4' energy: -57.005
flat angles C4'-P-C4' energy: -49.485
flat angles P-C4'-P energy: -36.030
tors. eta vs tors. theta energy: -55.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -695.738416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.738416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.738416 (E_RNA)
where:
Base-Base interactions energy: -470.361
where: short stacking energy: -196.853
Base-Backbone interact. energy: 4.320
local terms energy: -229.696832
where:
bonds (distance) C4'-P energy: -49.081
bonds (distance) P-C4' energy: -48.746
flat angles C4'-P-C4' energy: -50.003
flat angles P-C4'-P energy: -30.243
tors. eta vs tors. theta energy: -51.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -478.102453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.102453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.102453 (E_RNA)
where:
Base-Base interactions energy: -273.826
where: short stacking energy: -141.061
Base-Backbone interact. energy: -0.319
local terms energy: -203.957717
where:
bonds (distance) C4'-P energy: -48.342
bonds (distance) P-C4' energy: -45.556
flat angles C4'-P-C4' energy: -41.235
flat angles P-C4'-P energy: -33.170
tors. eta vs tors. theta energy: -35.655
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: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -348.598662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.598662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.598662 (E_RNA)
where:
Base-Base interactions energy: -181.930
where: short stacking energy: -117.349
Base-Backbone interact. energy: -0.595
local terms energy: -166.073751
where:
bonds (distance) C4'-P energy: -48.827
bonds (distance) P-C4' energy: -51.505
flat angles C4'-P-C4' energy: -29.440
flat angles P-C4'-P energy: -22.369
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -214.339422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.339422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.339422 (E_RNA)
where:
Base-Base interactions energy: -74.738
where: short stacking energy: -70.468
Base-Backbone interact. energy: 1.093
local terms energy: -140.694784
where:
bonds (distance) C4'-P energy: -41.071
bonds (distance) P-C4' energy: -44.007
flat angles C4'-P-C4' energy: -35.654
flat angles P-C4'-P energy: -25.463
tors. eta vs tors. theta energy: 5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -923.768410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.768410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.768410 (E_RNA)
where:
Base-Base interactions energy: -645.027
where: short stacking energy: -248.009
Base-Backbone interact. energy: -1.609
local terms energy: -277.131933
where:
bonds (distance) C4'-P energy: -53.640
bonds (distance) P-C4' energy: -56.510
flat angles C4'-P-C4' energy: -55.073
flat angles P-C4'-P energy: -45.157
tors. eta vs tors. theta energy: -66.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -907.660891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.660891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.660891 (E_RNA)
where:
Base-Base interactions energy: -613.256
where: short stacking energy: -245.118
Base-Backbone interact. energy: -2.612
local terms energy: -291.792838
where:
bonds (distance) C4'-P energy: -57.415
bonds (distance) P-C4' energy: -48.849
flat angles C4'-P-C4' energy: -58.155
flat angles P-C4'-P energy: -41.887
tors. eta vs tors. theta energy: -85.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -827.479442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.479442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.479442 (E_RNA)
where:
Base-Base interactions energy: -578.892
where: short stacking energy: -222.156
Base-Backbone interact. energy: -1.468
local terms energy: -247.119046
where:
bonds (distance) C4'-P energy: -52.181
bonds (distance) P-C4' energy: -45.829
flat angles C4'-P-C4' energy: -55.486
flat angles P-C4'-P energy: -42.042
tors. eta vs tors. theta energy: -51.582
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: 4, replica: 4
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -835.905739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.905739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.905739 (E_RNA)
where:
Base-Base interactions energy: -572.714
where: short stacking energy: -240.820
Base-Backbone interact. energy: 1.475
local terms energy: -264.666788
where:
bonds (distance) C4'-P energy: -46.410
bonds (distance) P-C4' energy: -53.791
flat angles C4'-P-C4' energy: -62.686
flat angles P-C4'-P energy: -34.042
tors. eta vs tors. theta energy: -67.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -790.791172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.791172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.791172 (E_RNA)
where:
Base-Base interactions energy: -550.525
where: short stacking energy: -226.849
Base-Backbone interact. energy: 0.517
local terms energy: -240.782977
where:
bonds (distance) C4'-P energy: -41.165
bonds (distance) P-C4' energy: -43.013
flat angles C4'-P-C4' energy: -59.275
flat angles P-C4'-P energy: -37.701
tors. eta vs tors. theta energy: -59.629
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: 7
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -731.495582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.495582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.495582 (E_RNA)
where:
Base-Base interactions energy: -492.781
where: short stacking energy: -199.530
Base-Backbone interact. energy: -0.222
local terms energy: -238.492770
where:
bonds (distance) C4'-P energy: -52.066
bonds (distance) P-C4' energy: -44.122
flat angles C4'-P-C4' energy: -51.676
flat angles P-C4'-P energy: -33.314
tors. eta vs tors. theta energy: -57.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -732.324201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.324201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.324201 (E_RNA)
where:
Base-Base interactions energy: -495.700
where: short stacking energy: -221.828
Base-Backbone interact. energy: -0.395
local terms energy: -236.228347
where:
bonds (distance) C4'-P energy: -41.455
bonds (distance) P-C4' energy: -48.390
flat angles C4'-P-C4' energy: -46.158
flat angles P-C4'-P energy: -37.099
tors. eta vs tors. theta energy: -63.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -489.442565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.442565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.442565 (E_RNA)
where:
Base-Base interactions energy: -278.270
where: short stacking energy: -130.881
Base-Backbone interact. energy: 0.684
local terms energy: -211.857494
where:
bonds (distance) C4'-P energy: -38.308
bonds (distance) P-C4' energy: -53.447
flat angles C4'-P-C4' energy: -52.899
flat angles P-C4'-P energy: -35.554
tors. eta vs tors. theta energy: -31.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -329.088508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.088508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.088508 (E_RNA)
where:
Base-Base interactions energy: -172.259
where: short stacking energy: -94.053
Base-Backbone interact. energy: 1.600
local terms energy: -158.429869
where:
bonds (distance) C4'-P energy: -44.740
bonds (distance) P-C4' energy: -49.984
flat angles C4'-P-C4' energy: -42.053
flat angles P-C4'-P energy: -16.945
tors. eta vs tors. theta energy: -4.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -227.488147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.488147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.488147 (E_RNA)
where:
Base-Base interactions energy: -69.537
where: short stacking energy: -59.620
Base-Backbone interact. energy: 1.446
local terms energy: -159.396585
where:
bonds (distance) C4'-P energy: -46.052
bonds (distance) P-C4' energy: -47.571
flat angles C4'-P-C4' energy: -37.368
flat angles P-C4'-P energy: -38.616
tors. eta vs tors. theta energy: 10.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -929.736338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.736338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.736338 (E_RNA)
where:
Base-Base interactions energy: -660.610
where: short stacking energy: -272.580
Base-Backbone interact. energy: -2.494
local terms energy: -266.632955
where:
bonds (distance) C4'-P energy: -50.315
bonds (distance) P-C4' energy: -49.721
flat angles C4'-P-C4' energy: -59.384
flat angles P-C4'-P energy: -37.544
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: 2, replica: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -910.660831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.660831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.660831 (E_RNA)
where:
Base-Base interactions energy: -623.060
where: short stacking energy: -261.830
Base-Backbone interact. energy: -3.506
local terms energy: -284.094650
where:
bonds (distance) C4'-P energy: -49.519
bonds (distance) P-C4' energy: -49.287
flat angles C4'-P-C4' energy: -60.316
flat angles P-C4'-P energy: -42.017
tors. eta vs tors. theta energy: -82.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -882.082666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.082666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.082666 (E_RNA)
where:
Base-Base interactions energy: -616.649
where: short stacking energy: -256.187
Base-Backbone interact. energy: -1.368
local terms energy: -264.065543
where:
bonds (distance) C4'-P energy: -47.544
bonds (distance) P-C4' energy: -45.232
flat angles C4'-P-C4' energy: -64.422
flat angles P-C4'-P energy: -31.162
tors. eta vs tors. theta energy: -75.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -814.215229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.215229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.215229 (E_RNA)
where:
Base-Base interactions energy: -568.201
where: short stacking energy: -220.123
Base-Backbone interact. energy: -3.225
local terms energy: -242.789096
where:
bonds (distance) C4'-P energy: -48.328
bonds (distance) P-C4' energy: -46.694
flat angles C4'-P-C4' energy: -58.932
flat angles P-C4'-P energy: -30.379
tors. eta vs tors. theta energy: -58.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -813.747882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.747882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.747882 (E_RNA)
where:
Base-Base interactions energy: -550.153
where: short stacking energy: -242.997
Base-Backbone interact. energy: -1.406
local terms energy: -262.189578
where:
bonds (distance) C4'-P energy: -53.483
bonds (distance) P-C4' energy: -49.389
flat angles C4'-P-C4' energy: -54.053
flat angles P-C4'-P energy: -33.376
tors. eta vs tors. theta energy: -71.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -756.684144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.684144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.684144 (E_RNA)
where:
Base-Base interactions energy: -516.165
where: short stacking energy: -228.828
Base-Backbone interact. energy: -1.150
local terms energy: -239.368805
where:
bonds (distance) C4'-P energy: -40.103
bonds (distance) P-C4' energy: -46.555
flat angles C4'-P-C4' energy: -50.565
flat angles P-C4'-P energy: -30.894
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: 7, replica: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -752.955096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.955096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.955096 (E_RNA)
where:
Base-Base interactions energy: -517.850
where: short stacking energy: -233.424
Base-Backbone interact. energy: -0.380
local terms energy: -234.725322
where:
bonds (distance) C4'-P energy: -45.634
bonds (distance) P-C4' energy: -47.987
flat angles C4'-P-C4' energy: -47.814
flat angles P-C4'-P energy: -29.338
tors. eta vs tors. theta energy: -63.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -512.843929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.843929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.843929 (E_RNA)
where:
Base-Base interactions energy: -321.563
where: short stacking energy: -157.033
Base-Backbone interact. energy: 1.597
local terms energy: -192.878062
where:
bonds (distance) C4'-P energy: -46.291
bonds (distance) P-C4' energy: -37.417
flat angles C4'-P-C4' energy: -39.871
flat angles P-C4'-P energy: -30.470
tors. eta vs tors. theta energy: -38.830
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: 66
Temperature: 1.300000
Total energy: -327.475322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.475322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.475322 (E_RNA)
where:
Base-Base interactions energy: -150.396
where: short stacking energy: -106.966
Base-Backbone interact. energy: -0.537
local terms energy: -176.542815
where:
bonds (distance) C4'-P energy: -47.684
bonds (distance) P-C4' energy: -41.137
flat angles C4'-P-C4' energy: -37.505
flat angles P-C4'-P energy: -38.549
tors. eta vs tors. theta energy: -11.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -228.372483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.372483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.372483 (E_RNA)
where:
Base-Base interactions energy: -87.753
where: short stacking energy: -66.740
Base-Backbone interact. energy: 0.579
local terms energy: -141.198777
where:
bonds (distance) C4'-P energy: -36.712
bonds (distance) P-C4' energy: -52.411
flat angles C4'-P-C4' energy: -40.505
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: 4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -920.374723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.374723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.374723 (E_RNA)
where:
Base-Base interactions energy: -637.729
where: short stacking energy: -256.705
Base-Backbone interact. energy: -2.769
local terms energy: -279.876476
where:
bonds (distance) C4'-P energy: -50.441
bonds (distance) P-C4' energy: -52.774
flat angles C4'-P-C4' energy: -56.455
flat angles P-C4'-P energy: -46.730
tors. eta vs tors. theta energy: -73.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -913.711613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.711613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.711613 (E_RNA)
where:
Base-Base interactions energy: -637.177
where: short stacking energy: -263.649
Base-Backbone interact. energy: -2.486
local terms energy: -274.048662
where:
bonds (distance) C4'-P energy: -51.615
bonds (distance) P-C4' energy: -49.206
flat angles C4'-P-C4' energy: -56.572
flat angles P-C4'-P energy: -40.865
tors. eta vs tors. theta energy: -75.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -844.931141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.931141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.931141 (E_RNA)
where:
Base-Base interactions energy: -580.481
where: short stacking energy: -256.306
Base-Backbone interact. energy: -0.907
local terms energy: -263.543270
where:
bonds (distance) C4'-P energy: -51.036
bonds (distance) P-C4' energy: -42.480
flat angles C4'-P-C4' energy: -58.203
flat angles P-C4'-P energy: -34.256
tors. eta vs tors. theta energy: -77.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -804.928507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.928507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.928507 (E_RNA)
where:
Base-Base interactions energy: -574.798
where: short stacking energy: -222.834
Base-Backbone interact. energy: -2.998
local terms energy: -227.132747
where:
bonds (distance) C4'-P energy: -36.794
bonds (distance) P-C4' energy: -46.530
flat angles C4'-P-C4' energy: -57.014
flat angles P-C4'-P energy: -31.426
tors. eta vs tors. theta energy: -55.368
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: 67
Temperature: 1.100000
Total energy: -812.545708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.545708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.545708 (E_RNA)
where:
Base-Base interactions energy: -566.607
where: short stacking energy: -236.582
Base-Backbone interact. energy: -0.274
local terms energy: -245.664141
where:
bonds (distance) C4'-P energy: -39.815
bonds (distance) P-C4' energy: -54.468
flat angles C4'-P-C4' energy: -51.019
flat angles P-C4'-P energy: -32.413
tors. eta vs tors. theta energy: -67.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -748.590100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.590100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.590100 (E_RNA)
where:
Base-Base interactions energy: -506.883
where: short stacking energy: -213.340
Base-Backbone interact. energy: -0.237
local terms energy: -241.469705
where:
bonds (distance) C4'-P energy: -50.398
bonds (distance) P-C4' energy: -51.342
flat angles C4'-P-C4' energy: -49.953
flat angles P-C4'-P energy: -29.241
tors. eta vs tors. theta energy: -60.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -711.756050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.756050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.756050 (E_RNA)
where:
Base-Base interactions energy: -474.640
where: short stacking energy: -198.860
Base-Backbone interact. energy: -1.447
local terms energy: -235.668686
where:
bonds (distance) C4'-P energy: -45.543
bonds (distance) P-C4' energy: -49.671
flat angles C4'-P-C4' energy: -53.715
flat angles P-C4'-P energy: -28.167
tors. eta vs tors. theta energy: -58.573
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: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -470.063049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.063049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.063049 (E_RNA)
where:
Base-Base interactions energy: -296.139
where: short stacking energy: -137.063
Base-Backbone interact. energy: -1.566
local terms energy: -172.358701
where:
bonds (distance) C4'-P energy: -31.292
bonds (distance) P-C4' energy: -47.270
flat angles C4'-P-C4' energy: -45.457
flat angles P-C4'-P energy: -27.090
tors. eta vs tors. theta energy: -21.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -298.675505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.675505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.675505 (E_RNA)
where:
Base-Base interactions energy: -161.638
where: short stacking energy: -100.558
Base-Backbone interact. energy: -1.261
local terms energy: -135.776728
where:
bonds (distance) C4'-P energy: -34.832
bonds (distance) P-C4' energy: -37.390
flat angles C4'-P-C4' energy: -42.707
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -1.636
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: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -301.151277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.151277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.151277 (E_RNA)
where:
Base-Base interactions energy: -145.605
where: short stacking energy: -94.714
Base-Backbone interact. energy: 0.921
local terms energy: -156.467888
where:
bonds (distance) C4'-P energy: -37.756
bonds (distance) P-C4' energy: -43.708
flat angles C4'-P-C4' energy: -42.116
flat angles P-C4'-P energy: -27.740
tors. eta vs tors. theta energy: -5.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -933.357044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.357044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.357044 (E_RNA)
where:
Base-Base interactions energy: -657.732
where: short stacking energy: -261.748
Base-Backbone interact. energy: -1.901
local terms energy: -273.723949
where:
bonds (distance) C4'-P energy: -48.663
bonds (distance) P-C4' energy: -51.368
flat angles C4'-P-C4' energy: -57.998
flat angles P-C4'-P energy: -38.048
tors. eta vs tors. theta energy: -77.648
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: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -899.835059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.835059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.835059 (E_RNA)
where:
Base-Base interactions energy: -646.492
where: short stacking energy: -257.897
Base-Backbone interact. energy: -1.516
local terms energy: -251.826570
where:
bonds (distance) C4'-P energy: -46.729
bonds (distance) P-C4' energy: -49.022
flat angles C4'-P-C4' energy: -53.220
flat angles P-C4'-P energy: -30.429
tors. eta vs tors. theta energy: -72.427
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: 68
Temperature: 1.000000
Total energy: -833.470537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.470537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.470537 (E_RNA)
where:
Base-Base interactions energy: -572.303
where: short stacking energy: -209.766
Base-Backbone interact. energy: -0.672
local terms energy: -260.495200
where:
bonds (distance) C4'-P energy: -49.879
bonds (distance) P-C4' energy: -61.413
flat angles C4'-P-C4' energy: -55.536
flat angles P-C4'-P energy: -41.887
tors. eta vs tors. theta energy: -51.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -839.788716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.788716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.788716 (E_RNA)
where:
Base-Base interactions energy: -562.304
where: short stacking energy: -248.988
Base-Backbone interact. energy: -1.699
local terms energy: -275.785428
where:
bonds (distance) C4'-P energy: -52.360
bonds (distance) P-C4' energy: -57.785
flat angles C4'-P-C4' energy: -49.466
flat angles P-C4'-P energy: -46.438
tors. eta vs tors. theta energy: -69.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -820.709594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.709594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.709594 (E_RNA)
where:
Base-Base interactions energy: -561.553
where: short stacking energy: -229.264
Base-Backbone interact. energy: -1.155
local terms energy: -258.002019
where:
bonds (distance) C4'-P energy: -55.982
bonds (distance) P-C4' energy: -49.470
flat angles C4'-P-C4' energy: -51.643
flat angles P-C4'-P energy: -38.193
tors. eta vs tors. theta energy: -62.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -749.776070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.776070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.776070 (E_RNA)
where:
Base-Base interactions energy: -517.659
where: short stacking energy: -219.436
Base-Backbone interact. energy: -0.561
local terms energy: -231.556017
where:
bonds (distance) C4'-P energy: -47.212
bonds (distance) P-C4' energy: -39.758
flat angles C4'-P-C4' energy: -53.011
flat angles P-C4'-P energy: -26.447
tors. eta vs tors. theta energy: -65.128
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: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -655.132522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.132522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.132522 (E_RNA)
where:
Base-Base interactions energy: -417.966
where: short stacking energy: -187.968
Base-Backbone interact. energy: -1.761
local terms energy: -235.404990
where:
bonds (distance) C4'-P energy: -49.885
bonds (distance) P-C4' energy: -52.492
flat angles C4'-P-C4' energy: -53.336
flat angles P-C4'-P energy: -30.033
tors. eta vs tors. theta energy: -49.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -493.149095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.149095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.149095 (E_RNA)
where:
Base-Base interactions energy: -302.548
where: short stacking energy: -145.892
Base-Backbone interact. energy: -0.701
local terms energy: -189.900286
where:
bonds (distance) C4'-P energy: -39.791
bonds (distance) P-C4' energy: -53.189
flat angles C4'-P-C4' energy: -47.894
flat angles P-C4'-P energy: -25.592
tors. eta vs tors. theta energy: -23.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -303.315850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.315850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.315850 (E_RNA)
where:
Base-Base interactions energy: -124.242
where: short stacking energy: -84.003
Base-Backbone interact. energy: -0.611
local terms energy: -178.462921
where:
bonds (distance) C4'-P energy: -43.895
bonds (distance) P-C4' energy: -48.145
flat angles C4'-P-C4' energy: -47.145
flat angles P-C4'-P energy: -33.724
tors. eta vs tors. theta energy: -5.554
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: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -280.998126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.998126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.998126 (E_RNA)
where:
Base-Base interactions energy: -121.507
where: short stacking energy: -65.992
Base-Backbone interact. energy: -0.618
local terms energy: -158.873632
where:
bonds (distance) C4'-P energy: -56.377
bonds (distance) P-C4' energy: -38.877
flat angles C4'-P-C4' energy: -39.393
flat angles P-C4'-P energy: -28.815
tors. eta vs tors. theta energy: 4.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -945.791102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.791102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.791102 (E_RNA)
where:
Base-Base interactions energy: -654.923
where: short stacking energy: -249.400
Base-Backbone interact. energy: -1.827
local terms energy: -289.041024
where:
bonds (distance) C4'-P energy: -56.684
bonds (distance) P-C4' energy: -57.041
flat angles C4'-P-C4' energy: -64.487
flat angles P-C4'-P energy: -37.322
tors. eta vs tors. theta energy: -73.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -895.790931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.790931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.790931 (E_RNA)
where:
Base-Base interactions energy: -616.427
where: short stacking energy: -249.791
Base-Backbone interact. energy: -0.382
local terms energy: -278.981898
where:
bonds (distance) C4'-P energy: -48.628
bonds (distance) P-C4' energy: -49.792
flat angles C4'-P-C4' energy: -63.612
flat angles P-C4'-P energy: -41.892
tors. eta vs tors. theta energy: -75.058
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: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -848.943151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.943151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.943151 (E_RNA)
where:
Base-Base interactions energy: -596.754
where: short stacking energy: -237.009
Base-Backbone interact. energy: 1.368
local terms energy: -253.557526
where:
bonds (distance) C4'-P energy: -56.898
bonds (distance) P-C4' energy: -46.892
flat angles C4'-P-C4' energy: -49.390
flat angles P-C4'-P energy: -39.934
tors. eta vs tors. theta energy: -60.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -839.847193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.847193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.847193 (E_RNA)
where:
Base-Base interactions energy: -571.295
where: short stacking energy: -257.112
Base-Backbone interact. energy: -1.497
local terms energy: -267.055018
where:
bonds (distance) C4'-P energy: -47.035
bonds (distance) P-C4' energy: -54.425
flat angles C4'-P-C4' energy: -62.092
flat angles P-C4'-P energy: -36.097
tors. eta vs tors. theta energy: -67.405
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: 4
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -820.775266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.775266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.775266 (E_RNA)
where:
Base-Base interactions energy: -568.783
where: short stacking energy: -245.289
Base-Backbone interact. energy: -0.936
local terms energy: -251.056124
where:
bonds (distance) C4'-P energy: -45.877
bonds (distance) P-C4' energy: -40.338
flat angles C4'-P-C4' energy: -57.756
flat angles P-C4'-P energy: -40.628
tors. eta vs tors. theta energy: -66.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -809.750835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.750835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.750835 (E_RNA)
where:
Base-Base interactions energy: -566.317
where: short stacking energy: -231.546
Base-Backbone interact. energy: -2.271
local terms energy: -241.163172
where:
bonds (distance) C4'-P energy: -42.406
bonds (distance) P-C4' energy: -50.261
flat angles C4'-P-C4' energy: -56.428
flat angles P-C4'-P energy: -27.920
tors. eta vs tors. theta energy: -64.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -672.279595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.279595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.279595 (E_RNA)
where:
Base-Base interactions energy: -442.763
where: short stacking energy: -192.138
Base-Backbone interact. energy: -1.956
local terms energy: -227.560962
where:
bonds (distance) C4'-P energy: -50.208
bonds (distance) P-C4' energy: -39.503
flat angles C4'-P-C4' energy: -55.954
flat angles P-C4'-P energy: -30.461
tors. eta vs tors. theta energy: -51.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -486.794472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.794472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.794472 (E_RNA)
where:
Base-Base interactions energy: -288.069
where: short stacking energy: -136.239
Base-Backbone interact. energy: 1.760
local terms energy: -200.485551
where:
bonds (distance) C4'-P energy: -48.311
bonds (distance) P-C4' energy: -53.803
flat angles C4'-P-C4' energy: -53.110
flat angles P-C4'-P energy: -27.097
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -301.034438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.034438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.034438 (E_RNA)
where:
Base-Base interactions energy: -146.703
where: short stacking energy: -95.632
Base-Backbone interact. energy: 0.469
local terms energy: -154.800617
where:
bonds (distance) C4'-P energy: -46.706
bonds (distance) P-C4' energy: -40.610
flat angles C4'-P-C4' energy: -41.130
flat angles P-C4'-P energy: -19.784
tors. eta vs tors. theta energy: -6.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -298.363284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.363284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.363284 (E_RNA)
where:
Base-Base interactions energy: -163.908
where: short stacking energy: -103.395
Base-Backbone interact. energy: 3.341
local terms energy: -137.795933
where:
bonds (distance) C4'-P energy: -30.138
bonds (distance) P-C4' energy: -45.690
flat angles C4'-P-C4' energy: -35.476
flat angles P-C4'-P energy: -19.208
tors. eta vs tors. theta energy: -7.284
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: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -951.054664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.054664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.054664 (E_RNA)
where:
Base-Base interactions energy: -657.517
where: short stacking energy: -270.641
Base-Backbone interact. energy: -2.403
local terms energy: -291.134617
where:
bonds (distance) C4'-P energy: -52.357
bonds (distance) P-C4' energy: -52.533
flat angles C4'-P-C4' energy: -61.758
flat angles P-C4'-P energy: -45.501
tors. eta vs tors. theta energy: -78.986
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: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -934.277283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.277283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.277283 (E_RNA)
where:
Base-Base interactions energy: -651.911
where: short stacking energy: -270.605
Base-Backbone interact. energy: -2.635
local terms energy: -279.731778
where:
bonds (distance) C4'-P energy: -49.732
bonds (distance) P-C4' energy: -54.933
flat angles C4'-P-C4' energy: -56.148
flat angles P-C4'-P energy: -40.677
tors. eta vs tors. theta energy: -78.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -845.438312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.438312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.438312 (E_RNA)
where:
Base-Base interactions energy: -570.050
where: short stacking energy: -234.238
Base-Backbone interact. energy: 0.684
local terms energy: -276.072365
where:
bonds (distance) C4'-P energy: -53.681
bonds (distance) P-C4' energy: -56.857
flat angles C4'-P-C4' energy: -60.301
flat angles P-C4'-P energy: -43.009
tors. eta vs tors. theta energy: -62.225
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: 1
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -809.529904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.529904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.529904 (E_RNA)
where:
Base-Base interactions energy: -577.192
where: short stacking energy: -224.011
Base-Backbone interact. energy: 4.199
local terms energy: -236.536824
where:
bonds (distance) C4'-P energy: -38.453
bonds (distance) P-C4' energy: -49.207
flat angles C4'-P-C4' energy: -53.268
flat angles P-C4'-P energy: -40.866
tors. eta vs tors. theta energy: -54.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -837.137059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.137059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.137059 (E_RNA)
where:
Base-Base interactions energy: -586.973
where: short stacking energy: -249.967
Base-Backbone interact. energy: -0.789
local terms energy: -249.374433
where:
bonds (distance) C4'-P energy: -46.400
bonds (distance) P-C4' energy: -44.439
flat angles C4'-P-C4' energy: -44.115
flat angles P-C4'-P energy: -39.873
tors. eta vs tors. theta energy: -74.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -779.091768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.091768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.091768 (E_RNA)
where:
Base-Base interactions energy: -530.057
where: short stacking energy: -234.142
Base-Backbone interact. energy: -1.617
local terms energy: -247.416951
where:
bonds (distance) C4'-P energy: -51.165
bonds (distance) P-C4' energy: -45.013
flat angles C4'-P-C4' energy: -48.249
flat angles P-C4'-P energy: -35.625
tors. eta vs tors. theta energy: -67.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -662.544413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.544413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.544413 (E_RNA)
where:
Base-Base interactions energy: -428.028
where: short stacking energy: -192.289
Base-Backbone interact. energy: -0.307
local terms energy: -234.209882
where:
bonds (distance) C4'-P energy: -42.840
bonds (distance) P-C4' energy: -51.727
flat angles C4'-P-C4' energy: -56.187
flat angles P-C4'-P energy: -29.331
tors. eta vs tors. theta energy: -54.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -501.855187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.855187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.855187 (E_RNA)
where:
Base-Base interactions energy: -295.920
where: short stacking energy: -142.239
Base-Backbone interact. energy: -1.746
local terms energy: -204.188669
where:
bonds (distance) C4'-P energy: -42.668
bonds (distance) P-C4' energy: -48.488
flat angles C4'-P-C4' energy: -55.177
flat angles P-C4'-P energy: -25.971
tors. eta vs tors. theta energy: -31.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -309.267652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.267652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.267652 (E_RNA)
where:
Base-Base interactions energy: -154.908
where: short stacking energy: -105.068
Base-Backbone interact. energy: 4.805
local terms energy: -159.164776
where:
bonds (distance) C4'-P energy: -41.800
bonds (distance) P-C4' energy: -53.606
flat angles C4'-P-C4' energy: -47.152
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -274.699824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.699824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.699824 (E_RNA)
where:
Base-Base interactions energy: -130.446
where: short stacking energy: -75.659
Base-Backbone interact. energy: -0.742
local terms energy: -143.511352
where:
bonds (distance) C4'-P energy: -42.581
bonds (distance) P-C4' energy: -40.331
flat angles C4'-P-C4' energy: -42.314
flat angles P-C4'-P energy: -17.593
tors. eta vs tors. theta energy: -0.693
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: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -925.296687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.296687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.296687 (E_RNA)
where:
Base-Base interactions energy: -643.968
where: short stacking energy: -266.358
Base-Backbone interact. energy: -1.391
local terms energy: -279.938434
where:
bonds (distance) C4'-P energy: -52.637
bonds (distance) P-C4' energy: -54.300
flat angles C4'-P-C4' energy: -52.171
flat angles P-C4'-P energy: -44.940
tors. eta vs tors. theta energy: -75.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -871.139838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.139838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.139838 (E_RNA)
where:
Base-Base interactions energy: -594.753
where: short stacking energy: -258.866
Base-Backbone interact. energy: 1.560
local terms energy: -277.946886
where:
bonds (distance) C4'-P energy: -54.659
bonds (distance) P-C4' energy: -55.407
flat angles C4'-P-C4' energy: -60.559
flat angles P-C4'-P energy: -34.285
tors. eta vs tors. theta energy: -73.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -890.098390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.098390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.098390 (E_RNA)
where:
Base-Base interactions energy: -621.164
where: short stacking energy: -246.463
Base-Backbone interact. energy: -3.219
local terms energy: -265.715540
where:
bonds (distance) C4'-P energy: -45.865
bonds (distance) P-C4' energy: -45.857
flat angles C4'-P-C4' energy: -59.639
flat angles P-C4'-P energy: -33.383
tors. eta vs tors. theta energy: -80.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -817.475696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.475696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.475696 (E_RNA)
where:
Base-Base interactions energy: -576.502
where: short stacking energy: -224.977
Base-Backbone interact. energy: -1.398
local terms energy: -239.575746
where:
bonds (distance) C4'-P energy: -44.903
bonds (distance) P-C4' energy: -45.278
flat angles C4'-P-C4' energy: -53.393
flat angles P-C4'-P energy: -37.763
tors. eta vs tors. theta energy: -58.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -795.159007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.159007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.159007 (E_RNA)
where:
Base-Base interactions energy: -568.108
where: short stacking energy: -238.503
Base-Backbone interact. energy: 4.149
local terms energy: -231.200423
where:
bonds (distance) C4'-P energy: -41.106
bonds (distance) P-C4' energy: -48.707
flat angles C4'-P-C4' energy: -42.096
flat angles P-C4'-P energy: -33.512
tors. eta vs tors. theta energy: -65.779
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: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -779.706622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.706622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.706622 (E_RNA)
where:
Base-Base interactions energy: -541.556
where: short stacking energy: -240.996
Base-Backbone interact. energy: 2.038
local terms energy: -240.188325
where:
bonds (distance) C4'-P energy: -31.527
bonds (distance) P-C4' energy: -45.694
flat angles C4'-P-C4' energy: -63.338
flat angles P-C4'-P energy: -30.588
tors. eta vs tors. theta energy: -69.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -670.829198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.829198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.829198 (E_RNA)
where:
Base-Base interactions energy: -464.648
where: short stacking energy: -198.656
Base-Backbone interact. energy: -0.014
local terms energy: -206.167512
where:
bonds (distance) C4'-P energy: -37.749
bonds (distance) P-C4' energy: -43.038
flat angles C4'-P-C4' energy: -41.605
flat angles P-C4'-P energy: -29.463
tors. eta vs tors. theta energy: -54.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -546.551631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.551631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.551631 (E_RNA)
where:
Base-Base interactions energy: -337.808
where: short stacking energy: -182.704
Base-Backbone interact. energy: -0.426
local terms energy: -208.318040
where:
bonds (distance) C4'-P energy: -48.323
bonds (distance) P-C4' energy: -40.097
flat angles C4'-P-C4' energy: -52.072
flat angles P-C4'-P energy: -28.846
tors. eta vs tors. theta energy: -38.980
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: 71
Temperature: 1.300000
Total energy: -293.856440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.856440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.856440 (E_RNA)
where:
Base-Base interactions energy: -135.951
where: short stacking energy: -82.700
Base-Backbone interact. energy: -0.622
local terms energy: -157.283126
where:
bonds (distance) C4'-P energy: -40.157
bonds (distance) P-C4' energy: -56.207
flat angles C4'-P-C4' energy: -35.336
flat angles P-C4'-P energy: -23.416
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -275.413993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.413993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.413993 (E_RNA)
where:
Base-Base interactions energy: -120.912
where: short stacking energy: -77.497
Base-Backbone interact. energy: -1.899
local terms energy: -152.603128
where:
bonds (distance) C4'-P energy: -40.954
bonds (distance) P-C4' energy: -41.244
flat angles C4'-P-C4' energy: -41.476
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -11.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -934.208084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.208084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.208084 (E_RNA)
where:
Base-Base interactions energy: -662.488
where: short stacking energy: -279.255
Base-Backbone interact. energy: -1.068
local terms energy: -270.652026
where:
bonds (distance) C4'-P energy: -47.789
bonds (distance) P-C4' energy: -47.612
flat angles C4'-P-C4' energy: -55.643
flat angles P-C4'-P energy: -42.363
tors. eta vs tors. theta energy: -77.245
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: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -876.995623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.995623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.995623 (E_RNA)
where:
Base-Base interactions energy: -601.984
where: short stacking energy: -275.834
Base-Backbone interact. energy: -0.758
local terms energy: -274.253616
where:
bonds (distance) C4'-P energy: -47.041
bonds (distance) P-C4' energy: -48.067
flat angles C4'-P-C4' energy: -62.133
flat angles P-C4'-P energy: -40.248
tors. eta vs tors. theta energy: -76.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -883.589084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.589084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.589084 (E_RNA)
where:
Base-Base interactions energy: -612.014
where: short stacking energy: -245.570
Base-Backbone interact. energy: -2.645
local terms energy: -268.929831
where:
bonds (distance) C4'-P energy: -58.183
bonds (distance) P-C4' energy: -45.091
flat angles C4'-P-C4' energy: -54.649
flat angles P-C4'-P energy: -32.703
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: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -815.076964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.076964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.076964 (E_RNA)
where:
Base-Base interactions energy: -574.836
where: short stacking energy: -217.668
Base-Backbone interact. energy: -0.813
local terms energy: -239.427098
where:
bonds (distance) C4'-P energy: -38.224
bonds (distance) P-C4' energy: -54.289
flat angles C4'-P-C4' energy: -56.279
flat angles P-C4'-P energy: -38.250
tors. eta vs tors. theta energy: -52.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -790.087417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.087417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.087417 (E_RNA)
where:
Base-Base interactions energy: -545.109
where: short stacking energy: -224.454
Base-Backbone interact. energy: -0.699
local terms energy: -244.279417
where:
bonds (distance) C4'-P energy: -47.957
bonds (distance) P-C4' energy: -43.337
flat angles C4'-P-C4' energy: -55.824
flat angles P-C4'-P energy: -37.410
tors. eta vs tors. theta energy: -59.751
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: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -765.534873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.534873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.534873 (E_RNA)
where:
Base-Base interactions energy: -528.698
where: short stacking energy: -222.951
Base-Backbone interact. energy: 0.014
local terms energy: -236.850414
where:
bonds (distance) C4'-P energy: -46.000
bonds (distance) P-C4' energy: -43.793
flat angles C4'-P-C4' energy: -54.211
flat angles P-C4'-P energy: -27.582
tors. eta vs tors. theta energy: -65.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -611.822161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.822161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.822161 (E_RNA)
where:
Base-Base interactions energy: -395.282
where: short stacking energy: -173.593
Base-Backbone interact. energy: 2.742
local terms energy: -219.282377
where:
bonds (distance) C4'-P energy: -45.800
bonds (distance) P-C4' energy: -47.922
flat angles C4'-P-C4' energy: -55.122
flat angles P-C4'-P energy: -30.732
tors. eta vs tors. theta energy: -39.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -539.166796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.166796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.166796 (E_RNA)
where:
Base-Base interactions energy: -349.510
where: short stacking energy: -141.199
Base-Backbone interact. energy: 1.667
local terms energy: -191.323694
where:
bonds (distance) C4'-P energy: -42.059
bonds (distance) P-C4' energy: -36.505
flat angles C4'-P-C4' energy: -55.540
flat angles P-C4'-P energy: -32.534
tors. eta vs tors. theta energy: -24.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -310.226880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.226880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.226880 (E_RNA)
where:
Base-Base interactions energy: -148.503
where: short stacking energy: -104.764
Base-Backbone interact. energy: -0.676
local terms energy: -161.047029
where:
bonds (distance) C4'-P energy: -44.823
bonds (distance) P-C4' energy: -50.050
flat angles C4'-P-C4' energy: -32.612
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -12.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -303.805897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.805897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.805897 (E_RNA)
where:
Base-Base interactions energy: -147.740
where: short stacking energy: -91.748
Base-Backbone interact. energy: 1.622
local terms energy: -157.687197
where:
bonds (distance) C4'-P energy: -42.144
bonds (distance) P-C4' energy: -53.086
flat angles C4'-P-C4' energy: -37.020
flat angles P-C4'-P energy: -16.994
tors. eta vs tors. theta energy: -8.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -936.701378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.701378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.701378 (E_RNA)
where:
Base-Base interactions energy: -642.592
where: short stacking energy: -270.269
Base-Backbone interact. energy: -1.971
local terms energy: -292.137945
where:
bonds (distance) C4'-P energy: -57.569
bonds (distance) P-C4' energy: -58.295
flat angles C4'-P-C4' energy: -56.359
flat angles P-C4'-P energy: -43.440
tors. eta vs tors. theta energy: -76.475
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: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -937.704980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.704980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.704980 (E_RNA)
where:
Base-Base interactions energy: -647.369
where: short stacking energy: -269.107
Base-Backbone interact. energy: -3.004
local terms energy: -287.332711
where:
bonds (distance) C4'-P energy: -47.315
bonds (distance) P-C4' energy: -55.077
flat angles C4'-P-C4' energy: -58.796
flat angles P-C4'-P energy: -43.020
tors. eta vs tors. theta energy: -83.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -856.324438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.324438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.324438 (E_RNA)
where:
Base-Base interactions energy: -582.561
where: short stacking energy: -247.699
Base-Backbone interact. energy: -0.966
local terms energy: -272.796927
where:
bonds (distance) C4'-P energy: -48.369
bonds (distance) P-C4' energy: -59.034
flat angles C4'-P-C4' energy: -58.932
flat angles P-C4'-P energy: -39.705
tors. eta vs tors. theta energy: -66.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -807.050876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.050876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.050876 (E_RNA)
where:
Base-Base interactions energy: -578.144
where: short stacking energy: -221.054
Base-Backbone interact. energy: -1.159
local terms energy: -227.747331
where:
bonds (distance) C4'-P energy: -38.293
bonds (distance) P-C4' energy: -51.191
flat angles C4'-P-C4' energy: -54.189
flat angles P-C4'-P energy: -33.143
tors. eta vs tors. theta energy: -50.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -766.621869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.621869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.621869 (E_RNA)
where:
Base-Base interactions energy: -533.635
where: short stacking energy: -203.563
Base-Backbone interact. energy: 1.300
local terms energy: -234.286705
where:
bonds (distance) C4'-P energy: -41.776
bonds (distance) P-C4' energy: -50.796
flat angles C4'-P-C4' energy: -43.932
flat angles P-C4'-P energy: -41.342
tors. eta vs tors. theta energy: -56.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -780.394751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.394751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.394751 (E_RNA)
where:
Base-Base interactions energy: -537.347
where: short stacking energy: -215.531
Base-Backbone interact. energy: -0.342
local terms energy: -242.705727
where:
bonds (distance) C4'-P energy: -41.042
bonds (distance) P-C4' energy: -44.019
flat angles C4'-P-C4' energy: -56.575
flat angles P-C4'-P energy: -37.188
tors. eta vs tors. theta energy: -63.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -663.446627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.446627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.446627 (E_RNA)
where:
Base-Base interactions energy: -452.663
where: short stacking energy: -192.012
Base-Backbone interact. energy: -0.035
local terms energy: -210.748962
where:
bonds (distance) C4'-P energy: -41.005
bonds (distance) P-C4' energy: -37.752
flat angles C4'-P-C4' energy: -45.723
flat angles P-C4'-P energy: -29.870
tors. eta vs tors. theta energy: -56.399
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: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -573.462110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.462110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.462110 (E_RNA)
where:
Base-Base interactions energy: -360.132
where: short stacking energy: -154.764
Base-Backbone interact. energy: -2.261
local terms energy: -211.070068
where:
bonds (distance) C4'-P energy: -45.923
bonds (distance) P-C4' energy: -47.452
flat angles C4'-P-C4' energy: -47.664
flat angles P-C4'-P energy: -31.878
tors. eta vs tors. theta energy: -38.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -357.133410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.133410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.133410 (E_RNA)
where:
Base-Base interactions energy: -187.500
where: short stacking energy: -85.237
Base-Backbone interact. energy: 0.134
local terms energy: -169.766486
where:
bonds (distance) C4'-P energy: -42.793
bonds (distance) P-C4' energy: -49.409
flat angles C4'-P-C4' energy: -45.554
flat angles P-C4'-P energy: -18.452
tors. eta vs tors. theta energy: -13.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -285.544014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.544014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.544014 (E_RNA)
where:
Base-Base interactions energy: -131.466
where: short stacking energy: -65.447
Base-Backbone interact. energy: -0.347
local terms energy: -153.730496
where:
bonds (distance) C4'-P energy: -46.497
bonds (distance) P-C4' energy: -45.958
flat angles C4'-P-C4' energy: -45.750
flat angles P-C4'-P energy: -22.189
tors. eta vs tors. theta energy: 6.664
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: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -933.137013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.137013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.137013 (E_RNA)
where:
Base-Base interactions energy: -657.519
where: short stacking energy: -275.360
Base-Backbone interact. energy: -4.550
local terms energy: -271.068541
where:
bonds (distance) C4'-P energy: -46.658
bonds (distance) P-C4' energy: -46.852
flat angles C4'-P-C4' energy: -62.655
flat angles P-C4'-P energy: -38.921
tors. eta vs tors. theta energy: -75.983
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: 74
Temperature: 0.950000
Total energy: -917.966915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.966915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.966915 (E_RNA)
where:
Base-Base interactions energy: -629.217
where: short stacking energy: -246.764
Base-Backbone interact. energy: 0.110
local terms energy: -288.860623
where:
bonds (distance) C4'-P energy: -48.404
bonds (distance) P-C4' energy: -56.336
flat angles C4'-P-C4' energy: -66.163
flat angles P-C4'-P energy: -39.311
tors. eta vs tors. theta energy: -78.647
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: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -848.132816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.132816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.132816 (E_RNA)
where:
Base-Base interactions energy: -597.059
where: short stacking energy: -246.018
Base-Backbone interact. energy: -1.158
local terms energy: -249.915445
where:
bonds (distance) C4'-P energy: -50.300
bonds (distance) P-C4' energy: -55.077
flat angles C4'-P-C4' energy: -39.627
flat angles P-C4'-P energy: -41.357
tors. eta vs tors. theta energy: -63.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -820.500245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.500245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.500245 (E_RNA)
where:
Base-Base interactions energy: -562.155
where: short stacking energy: -250.244
Base-Backbone interact. energy: -1.119
local terms energy: -257.226340
where:
bonds (distance) C4'-P energy: -44.261
bonds (distance) P-C4' energy: -52.342
flat angles C4'-P-C4' energy: -61.123
flat angles P-C4'-P energy: -31.937
tors. eta vs tors. theta energy: -67.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -786.106462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.106462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.106462 (E_RNA)
where:
Base-Base interactions energy: -533.030
where: short stacking energy: -240.066
Base-Backbone interact. energy: 1.370
local terms energy: -254.446309
where:
bonds (distance) C4'-P energy: -59.079
bonds (distance) P-C4' energy: -51.137
flat angles C4'-P-C4' energy: -51.534
flat angles P-C4'-P energy: -27.271
tors. eta vs tors. theta energy: -65.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -701.233541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.233541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.233541 (E_RNA)
where:
Base-Base interactions energy: -466.371
where: short stacking energy: -201.317
Base-Backbone interact. energy: -0.593
local terms energy: -234.268934
where:
bonds (distance) C4'-P energy: -54.480
bonds (distance) P-C4' energy: -43.733
flat angles C4'-P-C4' energy: -47.979
flat angles P-C4'-P energy: -33.408
tors. eta vs tors. theta energy: -54.668
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: 7
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -654.097219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.097219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.097219 (E_RNA)
where:
Base-Base interactions energy: -451.787
where: short stacking energy: -192.164
Base-Backbone interact. energy: -1.341
local terms energy: -200.968788
where:
bonds (distance) C4'-P energy: -42.752
bonds (distance) P-C4' energy: -41.280
flat angles C4'-P-C4' energy: -43.741
flat angles P-C4'-P energy: -28.195
tors. eta vs tors. theta energy: -45.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -531.081962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.081962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.081962 (E_RNA)
where:
Base-Base interactions energy: -322.937
where: short stacking energy: -152.660
Base-Backbone interact. energy: -1.719
local terms energy: -206.426176
where:
bonds (distance) C4'-P energy: -41.196
bonds (distance) P-C4' energy: -45.392
flat angles C4'-P-C4' energy: -47.723
flat angles P-C4'-P energy: -31.547
tors. eta vs tors. theta energy: -40.569
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: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -337.975387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.975387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.975387 (E_RNA)
where:
Base-Base interactions energy: -159.614
where: short stacking energy: -106.435
Base-Backbone interact. energy: -1.341
local terms energy: -177.020692
where:
bonds (distance) C4'-P energy: -43.978
bonds (distance) P-C4' energy: -49.210
flat angles C4'-P-C4' energy: -36.164
flat angles P-C4'-P energy: -35.387
tors. eta vs tors. theta energy: -12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -289.321914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.321914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.321914 (E_RNA)
where:
Base-Base interactions energy: -139.311
where: short stacking energy: -85.662
Base-Backbone interact. energy: -0.582
local terms energy: -149.429500
where:
bonds (distance) C4'-P energy: -35.988
bonds (distance) P-C4' energy: -46.469
flat angles C4'-P-C4' energy: -37.660
flat angles P-C4'-P energy: -25.662
tors. eta vs tors. theta energy: -3.650
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: 1, replica: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -936.530166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.530166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.530166 (E_RNA)
where:
Base-Base interactions energy: -649.248
where: short stacking energy: -261.287
Base-Backbone interact. energy: -2.944
local terms energy: -284.338592
where:
bonds (distance) C4'-P energy: -52.400
bonds (distance) P-C4' energy: -57.874
flat angles C4'-P-C4' energy: -63.128
flat angles P-C4'-P energy: -40.471
tors. eta vs tors. theta energy: -70.465
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: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -912.905753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.905753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.905753 (E_RNA)
where:
Base-Base interactions energy: -630.222
where: short stacking energy: -261.843
Base-Backbone interact. energy: -0.281
local terms energy: -282.402841
where:
bonds (distance) C4'-P energy: -53.200
bonds (distance) P-C4' energy: -51.052
flat angles C4'-P-C4' energy: -55.912
flat angles P-C4'-P energy: -39.578
tors. eta vs tors. theta energy: -82.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -861.294501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.294501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.294501 (E_RNA)
where:
Base-Base interactions energy: -592.533
where: short stacking energy: -239.768
Base-Backbone interact. energy: -1.211
local terms energy: -267.549814
where:
bonds (distance) C4'-P energy: -54.615
bonds (distance) P-C4' energy: -51.115
flat angles C4'-P-C4' energy: -60.918
flat angles P-C4'-P energy: -33.422
tors. eta vs tors. theta energy: -67.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -834.938333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.938333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.938333 (E_RNA)
where:
Base-Base interactions energy: -571.320
where: short stacking energy: -237.904
Base-Backbone interact. energy: -2.989
local terms energy: -260.628807
where:
bonds (distance) C4'-P energy: -47.883
bonds (distance) P-C4' energy: -54.975
flat angles C4'-P-C4' energy: -55.010
flat angles P-C4'-P energy: -31.674
tors. eta vs tors. theta energy: -71.087
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: 4
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -775.788635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.788635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.788635 (E_RNA)
where:
Base-Base interactions energy: -536.702
where: short stacking energy: -219.582
Base-Backbone interact. energy: -1.926
local terms energy: -237.160542
where:
bonds (distance) C4'-P energy: -45.758
bonds (distance) P-C4' energy: -40.472
flat angles C4'-P-C4' energy: -50.519
flat angles P-C4'-P energy: -30.085
tors. eta vs tors. theta energy: -70.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -748.406233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.406233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.406233 (E_RNA)
where:
Base-Base interactions energy: -509.018
where: short stacking energy: -228.042
Base-Backbone interact. energy: -1.173
local terms energy: -238.214820
where:
bonds (distance) C4'-P energy: -37.835
bonds (distance) P-C4' energy: -44.979
flat angles C4'-P-C4' energy: -54.848
flat angles P-C4'-P energy: -35.464
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: 7, replica: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -687.315683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.315683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.315683 (E_RNA)
where:
Base-Base interactions energy: -475.614
where: short stacking energy: -186.577
Base-Backbone interact. energy: -1.531
local terms energy: -210.171167
where:
bonds (distance) C4'-P energy: -37.804
bonds (distance) P-C4' energy: -52.854
flat angles C4'-P-C4' energy: -49.803
flat angles P-C4'-P energy: -24.039
tors. eta vs tors. theta energy: -45.670
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: 75
Temperature: 1.250000
Total energy: -528.562301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.562301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.562301 (E_RNA)
where:
Base-Base interactions energy: -326.312
where: short stacking energy: -150.727
Base-Backbone interact. energy: 3.233
local terms energy: -205.482882
where:
bonds (distance) C4'-P energy: -42.178
bonds (distance) P-C4' energy: -51.261
flat angles C4'-P-C4' energy: -47.042
flat angles P-C4'-P energy: -27.158
tors. eta vs tors. theta energy: -37.845
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: 9, replica: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -294.519769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.519769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.519769 (E_RNA)
where:
Base-Base interactions energy: -141.582
where: short stacking energy: -63.312
Base-Backbone interact. energy: -1.671
local terms energy: -151.266648
where:
bonds (distance) C4'-P energy: -57.944
bonds (distance) P-C4' energy: -47.468
flat angles C4'-P-C4' energy: -34.366
flat angles P-C4'-P energy: -24.322
tors. eta vs tors. theta energy: 12.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -301.047896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.047896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.047896 (E_RNA)
where:
Base-Base interactions energy: -128.333
where: short stacking energy: -66.734
Base-Backbone interact. energy: 1.539
local terms energy: -174.253348
where:
bonds (distance) C4'-P energy: -55.291
bonds (distance) P-C4' energy: -51.288
flat angles C4'-P-C4' energy: -37.595
flat angles P-C4'-P energy: -24.873
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -947.844488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.844488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.844488 (E_RNA)
where:
Base-Base interactions energy: -667.945
where: short stacking energy: -260.603
Base-Backbone interact. energy: -2.366
local terms energy: -277.533858
where:
bonds (distance) C4'-P energy: -50.106
bonds (distance) P-C4' energy: -53.306
flat angles C4'-P-C4' energy: -58.497
flat angles P-C4'-P energy: -44.004
tors. eta vs tors. theta energy: -71.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -935.681574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.681574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.681574 (E_RNA)
where:
Base-Base interactions energy: -647.699
where: short stacking energy: -270.862
Base-Backbone interact. energy: -2.030
local terms energy: -285.953095
where:
bonds (distance) C4'-P energy: -44.164
bonds (distance) P-C4' energy: -61.237
flat angles C4'-P-C4' energy: -62.751
flat angles P-C4'-P energy: -40.574
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: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -856.101797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.101797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.101797 (E_RNA)
where:
Base-Base interactions energy: -603.281
where: short stacking energy: -242.114
Base-Backbone interact. energy: -0.201
local terms energy: -252.620339
where:
bonds (distance) C4'-P energy: -50.303
bonds (distance) P-C4' energy: -51.006
flat angles C4'-P-C4' energy: -55.002
flat angles P-C4'-P energy: -31.399
tors. eta vs tors. theta energy: -64.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -846.506449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.506449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.506449 (E_RNA)
where:
Base-Base interactions energy: -569.180
where: short stacking energy: -231.494
Base-Backbone interact. energy: -0.613
local terms energy: -276.713755
where:
bonds (distance) C4'-P energy: -49.119
bonds (distance) P-C4' energy: -50.826
flat angles C4'-P-C4' energy: -65.388
flat angles P-C4'-P energy: -38.311
tors. eta vs tors. theta energy: -73.070
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: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -792.523924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.523924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.523924 (E_RNA)
where:
Base-Base interactions energy: -545.005
where: short stacking energy: -223.094
Base-Backbone interact. energy: -3.561
local terms energy: -243.958233
where:
bonds (distance) C4'-P energy: -49.704
bonds (distance) P-C4' energy: -43.115
flat angles C4'-P-C4' energy: -55.072
flat angles P-C4'-P energy: -26.310
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: 6, replica: 6
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -686.124611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.124611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.124611 (E_RNA)
where:
Base-Base interactions energy: -435.914
where: short stacking energy: -178.321
Base-Backbone interact. energy: -1.621
local terms energy: -248.589197
where:
bonds (distance) C4'-P energy: -55.998
bonds (distance) P-C4' energy: -46.466
flat angles C4'-P-C4' energy: -50.830
flat angles P-C4'-P energy: -34.876
tors. eta vs tors. theta energy: -60.419
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: 76
Temperature: 1.200000
Total energy: -672.779574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.779574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.779574 (E_RNA)
where:
Base-Base interactions energy: -452.448
where: short stacking energy: -194.403
Base-Backbone interact. energy: -1.836
local terms energy: -218.495472
where:
bonds (distance) C4'-P energy: -44.202
bonds (distance) P-C4' energy: -39.888
flat angles C4'-P-C4' energy: -45.261
flat angles P-C4'-P energy: -39.662
tors. eta vs tors. theta energy: -49.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -522.235463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.235463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.235463 (E_RNA)
where:
Base-Base interactions energy: -322.989
where: short stacking energy: -147.056
Base-Backbone interact. energy: -0.697
local terms energy: -198.549466
where:
bonds (distance) C4'-P energy: -43.106
bonds (distance) P-C4' energy: -47.135
flat angles C4'-P-C4' energy: -48.338
flat angles P-C4'-P energy: -30.802
tors. eta vs tors. theta energy: -29.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -318.543294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.543294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.543294 (E_RNA)
where:
Base-Base interactions energy: -154.399
where: short stacking energy: -99.988
Base-Backbone interact. energy: -0.157
local terms energy: -163.986962
where:
bonds (distance) C4'-P energy: -51.925
bonds (distance) P-C4' energy: -42.189
flat angles C4'-P-C4' energy: -43.336
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: -8.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -274.899321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.899321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.899321 (E_RNA)
where:
Base-Base interactions energy: -122.640
where: short stacking energy: -84.225
Base-Backbone interact. energy: -0.969
local terms energy: -151.290331
where:
bonds (distance) C4'-P energy: -44.205
bonds (distance) P-C4' energy: -43.965
flat angles C4'-P-C4' energy: -39.594
flat angles P-C4'-P energy: -27.752
tors. eta vs tors. theta energy: 4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -930.025255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.025255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.025255 (E_RNA)
where:
Base-Base interactions energy: -644.094
where: short stacking energy: -251.937
Base-Backbone interact. energy: -1.420
local terms energy: -284.511216
where:
bonds (distance) C4'-P energy: -60.874
bonds (distance) P-C4' energy: -45.540
flat angles C4'-P-C4' energy: -59.935
flat angles P-C4'-P energy: -45.198
tors. eta vs tors. theta energy: -72.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -903.534440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.534440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.534440 (E_RNA)
where:
Base-Base interactions energy: -604.253
where: short stacking energy: -243.292
Base-Backbone interact. energy: -2.955
local terms energy: -296.327155
where:
bonds (distance) C4'-P energy: -57.573
bonds (distance) P-C4' energy: -57.554
flat angles C4'-P-C4' energy: -64.752
flat angles P-C4'-P energy: -45.191
tors. eta vs tors. theta energy: -71.257
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: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -871.503633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.503633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.503633 (E_RNA)
where:
Base-Base interactions energy: -610.804
where: short stacking energy: -237.658
Base-Backbone interact. energy: -0.656
local terms energy: -260.043196
where:
bonds (distance) C4'-P energy: -55.535
bonds (distance) P-C4' energy: -53.383
flat angles C4'-P-C4' energy: -49.590
flat angles P-C4'-P energy: -35.113
tors. eta vs tors. theta energy: -66.422
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: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -837.961047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.961047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.961047 (E_RNA)
where:
Base-Base interactions energy: -562.670
where: short stacking energy: -228.353
Base-Backbone interact. energy: -1.561
local terms energy: -273.729795
where:
bonds (distance) C4'-P energy: -44.852
bonds (distance) P-C4' energy: -53.866
flat angles C4'-P-C4' energy: -60.746
flat angles P-C4'-P energy: -39.177
tors. eta vs tors. theta energy: -75.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -815.735041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.735041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.735041 (E_RNA)
where:
Base-Base interactions energy: -561.586
where: short stacking energy: -239.609
Base-Backbone interact. energy: 6.778
local terms energy: -260.927725
where:
bonds (distance) C4'-P energy: -39.700
bonds (distance) P-C4' energy: -57.774
flat angles C4'-P-C4' energy: -58.700
flat angles P-C4'-P energy: -35.822
tors. eta vs tors. theta energy: -68.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -712.273415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.273415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.273415 (E_RNA)
where:
Base-Base interactions energy: -475.211
where: short stacking energy: -195.930
Base-Backbone interact. energy: -2.561
local terms energy: -234.501683
where:
bonds (distance) C4'-P energy: -43.066
bonds (distance) P-C4' energy: -45.468
flat angles C4'-P-C4' energy: -54.111
flat angles P-C4'-P energy: -32.042
tors. eta vs tors. theta energy: -59.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -661.587356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.587356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.587356 (E_RNA)
where:
Base-Base interactions energy: -440.794
where: short stacking energy: -202.234
Base-Backbone interact. energy: -1.237
local terms energy: -219.556475
where:
bonds (distance) C4'-P energy: -50.941
bonds (distance) P-C4' energy: -46.173
flat angles C4'-P-C4' energy: -32.051
flat angles P-C4'-P energy: -36.250
tors. eta vs tors. theta energy: -54.142
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: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -518.686772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.686772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.686772 (E_RNA)
where:
Base-Base interactions energy: -316.830
where: short stacking energy: -150.263
Base-Backbone interact. energy: -0.089
local terms energy: -201.767511
where:
bonds (distance) C4'-P energy: -43.383
bonds (distance) P-C4' energy: -47.781
flat angles C4'-P-C4' energy: -49.299
flat angles P-C4'-P energy: -33.882
tors. eta vs tors. theta energy: -27.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -325.011964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.011964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.011964 (E_RNA)
where:
Base-Base interactions energy: -169.121
where: short stacking energy: -97.735
Base-Backbone interact. energy: -1.289
local terms energy: -154.602058
where:
bonds (distance) C4'-P energy: -48.564
bonds (distance) P-C4' energy: -50.042
flat angles C4'-P-C4' energy: -29.695
flat angles P-C4'-P energy: -23.190
tors. eta vs tors. theta energy: -3.111
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: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -239.089911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.089911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.089911 (E_RNA)
where:
Base-Base interactions energy: -94.314
where: short stacking energy: -69.767
Base-Backbone interact. energy: 0.045
local terms energy: -144.821150
where:
bonds (distance) C4'-P energy: -46.054
bonds (distance) P-C4' energy: -55.039
flat angles C4'-P-C4' energy: -34.470
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: 1.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -930.966736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.966736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.966736 (E_RNA)
where:
Base-Base interactions energy: -648.717
where: short stacking energy: -262.083
Base-Backbone interact. energy: -2.925
local terms energy: -279.324652
where:
bonds (distance) C4'-P energy: -51.422
bonds (distance) P-C4' energy: -54.804
flat angles C4'-P-C4' energy: -56.869
flat angles P-C4'-P energy: -44.723
tors. eta vs tors. theta energy: -71.506
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: 2, replica: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -896.797446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.797446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.797446 (E_RNA)
where:
Base-Base interactions energy: -623.265
where: short stacking energy: -257.102
Base-Backbone interact. energy: -1.958
local terms energy: -271.574698
where:
bonds (distance) C4'-P energy: -47.060
bonds (distance) P-C4' energy: -53.405
flat angles C4'-P-C4' energy: -59.067
flat angles P-C4'-P energy: -37.793
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: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -871.168307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.168307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.168307 (E_RNA)
where:
Base-Base interactions energy: -619.057
where: short stacking energy: -240.617
Base-Backbone interact. energy: -2.031
local terms energy: -250.080748
where:
bonds (distance) C4'-P energy: -42.076
bonds (distance) P-C4' energy: -48.140
flat angles C4'-P-C4' energy: -57.904
flat angles P-C4'-P energy: -31.513
tors. eta vs tors. theta energy: -70.447
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: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -833.102186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.102186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.102186 (E_RNA)
where:
Base-Base interactions energy: -558.950
where: short stacking energy: -222.858
Base-Backbone interact. energy: -1.702
local terms energy: -272.450146
where:
bonds (distance) C4'-P energy: -50.808
bonds (distance) P-C4' energy: -59.509
flat angles C4'-P-C4' energy: -60.965
flat angles P-C4'-P energy: -35.953
tors. eta vs tors. theta energy: -65.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -845.381618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.381618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.381618 (E_RNA)
where:
Base-Base interactions energy: -598.264
where: short stacking energy: -239.162
Base-Backbone interact. energy: -1.540
local terms energy: -245.577970
where:
bonds (distance) C4'-P energy: -38.572
bonds (distance) P-C4' energy: -50.688
flat angles C4'-P-C4' energy: -49.284
flat angles P-C4'-P energy: -35.891
tors. eta vs tors. theta energy: -71.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -774.517378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.517378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.517378 (E_RNA)
where:
Base-Base interactions energy: -548.034
where: short stacking energy: -235.617
Base-Backbone interact. energy: 2.779
local terms energy: -229.262991
where:
bonds (distance) C4'-P energy: -45.602
bonds (distance) P-C4' energy: -35.502
flat angles C4'-P-C4' energy: -46.605
flat angles P-C4'-P energy: -35.823
tors. eta vs tors. theta energy: -65.731
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: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -641.066299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.066299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.066299 (E_RNA)
where:
Base-Base interactions energy: -420.418
where: short stacking energy: -174.664
Base-Backbone interact. energy: -0.024
local terms energy: -220.624876
where:
bonds (distance) C4'-P energy: -49.999
bonds (distance) P-C4' energy: -51.746
flat angles C4'-P-C4' energy: -47.970
flat angles P-C4'-P energy: -24.397
tors. eta vs tors. theta energy: -46.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -463.051257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.051257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.051257 (E_RNA)
where:
Base-Base interactions energy: -281.476
where: short stacking energy: -132.392
Base-Backbone interact. energy: -0.759
local terms energy: -180.815627
where:
bonds (distance) C4'-P energy: -38.262
bonds (distance) P-C4' energy: -51.692
flat angles C4'-P-C4' energy: -45.272
flat angles P-C4'-P energy: -18.934
tors. eta vs tors. theta energy: -26.656
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: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -274.707281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.707281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.707281 (E_RNA)
where:
Base-Base interactions energy: -115.518
where: short stacking energy: -94.037
Base-Backbone interact. energy: -0.529
local terms energy: -158.660503
where:
bonds (distance) C4'-P energy: -47.787
bonds (distance) P-C4' energy: -58.922
flat angles C4'-P-C4' energy: -34.088
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -8.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -282.614194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.614194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.614194 (E_RNA)
where:
Base-Base interactions energy: -124.977
where: short stacking energy: -72.711
Base-Backbone interact. energy: 2.938
local terms energy: -160.574989
where:
bonds (distance) C4'-P energy: -45.976
bonds (distance) P-C4' energy: -39.850
flat angles C4'-P-C4' energy: -43.693
flat angles P-C4'-P energy: -28.044
tors. eta vs tors. theta energy: -3.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -934.182499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.182499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.182499 (E_RNA)
where:
Base-Base interactions energy: -660.470
where: short stacking energy: -265.051
Base-Backbone interact. energy: -2.288
local terms energy: -271.424913
where:
bonds (distance) C4'-P energy: -57.485
bonds (distance) P-C4' energy: -48.743
flat angles C4'-P-C4' energy: -58.088
flat angles P-C4'-P energy: -34.808
tors. eta vs tors. theta energy: -72.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -881.477572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.477572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.477572 (E_RNA)
where:
Base-Base interactions energy: -610.688
where: short stacking energy: -242.814
Base-Backbone interact. energy: -2.348
local terms energy: -268.441921
where:
bonds (distance) C4'-P energy: -49.426
bonds (distance) P-C4' energy: -53.700
flat angles C4'-P-C4' energy: -56.921
flat angles P-C4'-P energy: -38.791
tors. eta vs tors. theta energy: -69.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -864.462937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.462937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.462937 (E_RNA)
where:
Base-Base interactions energy: -610.497
where: short stacking energy: -237.845
Base-Backbone interact. energy: -1.464
local terms energy: -252.501650
where:
bonds (distance) C4'-P energy: -34.632
bonds (distance) P-C4' energy: -60.953
flat angles C4'-P-C4' energy: -55.991
flat angles P-C4'-P energy: -33.689
tors. eta vs tors. theta energy: -67.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -828.670157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.670157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.670157 (E_RNA)
where:
Base-Base interactions energy: -574.573
where: short stacking energy: -240.161
Base-Backbone interact. energy: 1.552
local terms energy: -255.648966
where:
bonds (distance) C4'-P energy: -51.946
bonds (distance) P-C4' energy: -59.130
flat angles C4'-P-C4' energy: -56.151
flat angles P-C4'-P energy: -25.863
tors. eta vs tors. theta energy: -62.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -809.898832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.898832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.898832 (E_RNA)
where:
Base-Base interactions energy: -544.290
where: short stacking energy: -233.100
Base-Backbone interact. energy: -0.547
local terms energy: -265.061828
where:
bonds (distance) C4'-P energy: -47.499
bonds (distance) P-C4' energy: -51.030
flat angles C4'-P-C4' energy: -51.537
flat angles P-C4'-P energy: -44.341
tors. eta vs tors. theta energy: -70.656
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: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -721.813390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.813390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.813390 (E_RNA)
where:
Base-Base interactions energy: -481.085
where: short stacking energy: -217.689
Base-Backbone interact. energy: -1.639
local terms energy: -239.089491
where:
bonds (distance) C4'-P energy: -40.342
bonds (distance) P-C4' energy: -51.008
flat angles C4'-P-C4' energy: -40.089
flat angles P-C4'-P energy: -44.635
tors. eta vs tors. theta energy: -63.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -673.516239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.516239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.516239 (E_RNA)
where:
Base-Base interactions energy: -445.552
where: short stacking energy: -208.444
Base-Backbone interact. energy: -0.269
local terms energy: -227.695017
where:
bonds (distance) C4'-P energy: -40.709
bonds (distance) P-C4' energy: -43.281
flat angles C4'-P-C4' energy: -53.626
flat angles P-C4'-P energy: -36.243
tors. eta vs tors. theta energy: -53.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -341.298775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.298775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.298775 (E_RNA)
where:
Base-Base interactions energy: -181.858
where: short stacking energy: -90.028
Base-Backbone interact. energy: 0.991
local terms energy: -160.431913
where:
bonds (distance) C4'-P energy: -28.696
bonds (distance) P-C4' energy: -42.430
flat angles C4'-P-C4' energy: -45.286
flat angles P-C4'-P energy: -35.638
tors. eta vs tors. theta energy: -8.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -269.828182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.828182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.828182 (E_RNA)
where:
Base-Base interactions energy: -98.877
where: short stacking energy: -89.797
Base-Backbone interact. energy: -0.092
local terms energy: -170.858746
where:
bonds (distance) C4'-P energy: -42.475
bonds (distance) P-C4' energy: -52.268
flat angles C4'-P-C4' energy: -37.494
flat angles P-C4'-P energy: -21.637
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -298.600813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.600813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.600813 (E_RNA)
where:
Base-Base interactions energy: -119.087
where: short stacking energy: -69.573
Base-Backbone interact. energy: 0.250
local terms energy: -179.764014
where:
bonds (distance) C4'-P energy: -48.162
bonds (distance) P-C4' energy: -55.405
flat angles C4'-P-C4' energy: -51.809
flat angles P-C4'-P energy: -21.047
tors. eta vs tors. theta energy: -3.340
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: 1, replica: 5
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -936.582275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.582275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.582275 (E_RNA)
where:
Base-Base interactions energy: -644.228
where: short stacking energy: -269.413
Base-Backbone interact. energy: -1.551
local terms energy: -290.803365
where:
bonds (distance) C4'-P energy: -54.552
bonds (distance) P-C4' energy: -57.410
flat angles C4'-P-C4' energy: -63.270
flat angles P-C4'-P energy: -40.468
tors. eta vs tors. theta energy: -75.104
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: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -886.463849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.463849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.463849 (E_RNA)
where:
Base-Base interactions energy: -618.861
where: short stacking energy: -274.010
Base-Backbone interact. energy: -1.788
local terms energy: -265.814965
where:
bonds (distance) C4'-P energy: -49.085
bonds (distance) P-C4' energy: -56.912
flat angles C4'-P-C4' energy: -51.725
flat angles P-C4'-P energy: -34.712
tors. eta vs tors. theta energy: -73.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -859.696370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.696370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.696370 (E_RNA)
where:
Base-Base interactions energy: -598.383
where: short stacking energy: -247.389
Base-Backbone interact. energy: -0.918
local terms energy: -260.395065
where:
bonds (distance) C4'-P energy: -50.513
bonds (distance) P-C4' energy: -40.786
flat angles C4'-P-C4' energy: -61.986
flat angles P-C4'-P energy: -35.001
tors. eta vs tors. theta energy: -72.110
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: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -826.918451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.918451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.918451 (E_RNA)
where:
Base-Base interactions energy: -563.410
where: short stacking energy: -229.550
Base-Backbone interact. energy: -0.974
local terms energy: -262.534382
where:
bonds (distance) C4'-P energy: -53.327
bonds (distance) P-C4' energy: -46.578
flat angles C4'-P-C4' energy: -62.356
flat angles P-C4'-P energy: -32.588
tors. eta vs tors. theta energy: -67.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -802.530952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.530952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.530952 (E_RNA)
where:
Base-Base interactions energy: -553.480
where: short stacking energy: -222.452
Base-Backbone interact. energy: -1.183
local terms energy: -247.867954
where:
bonds (distance) C4'-P energy: -44.443
bonds (distance) P-C4' energy: -45.984
flat angles C4'-P-C4' energy: -49.330
flat angles P-C4'-P energy: -46.461
tors. eta vs tors. theta energy: -61.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -709.997162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.997162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.997162 (E_RNA)
where:
Base-Base interactions energy: -484.940
where: short stacking energy: -220.559
Base-Backbone interact. energy: -0.914
local terms energy: -224.143670
where:
bonds (distance) C4'-P energy: -41.438
bonds (distance) P-C4' energy: -45.687
flat angles C4'-P-C4' energy: -46.651
flat angles P-C4'-P energy: -29.760
tors. eta vs tors. theta energy: -60.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -669.892181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.892181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.892181 (E_RNA)
where:
Base-Base interactions energy: -445.158
where: short stacking energy: -192.003
Base-Backbone interact. energy: -0.979
local terms energy: -223.754581
where:
bonds (distance) C4'-P energy: -40.751
bonds (distance) P-C4' energy: -54.388
flat angles C4'-P-C4' energy: -51.327
flat angles P-C4'-P energy: -23.163
tors. eta vs tors. theta energy: -54.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -387.426181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.426181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.426181 (E_RNA)
where:
Base-Base interactions energy: -209.865
where: short stacking energy: -123.124
Base-Backbone interact. energy: -2.404
local terms energy: -175.157478
where:
bonds (distance) C4'-P energy: -40.573
bonds (distance) P-C4' energy: -46.278
flat angles C4'-P-C4' energy: -43.085
flat angles P-C4'-P energy: -21.220
tors. eta vs tors. theta energy: -24.001
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: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -339.780291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.780291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.780291 (E_RNA)
where:
Base-Base interactions energy: -177.370
where: short stacking energy: -99.851
Base-Backbone interact. energy: 4.398
local terms energy: -166.807932
where:
bonds (distance) C4'-P energy: -46.854
bonds (distance) P-C4' energy: -45.951
flat angles C4'-P-C4' energy: -42.653
flat angles P-C4'-P energy: -28.168
tors. eta vs tors. theta energy: -3.182
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: 80
Temperature: 1.350000
Total energy: -219.740201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.740201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.740201 (E_RNA)
where:
Base-Base interactions energy: -81.421
where: short stacking energy: -66.081
Base-Backbone interact. energy: 0.718
local terms energy: -139.036420
where:
bonds (distance) C4'-P energy: -34.109
bonds (distance) P-C4' energy: -46.003
flat angles C4'-P-C4' energy: -42.591
flat angles P-C4'-P energy: -22.838
tors. eta vs tors. theta energy: 6.504
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: 1, replica: 5
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -937.432316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.432316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.432316 (E_RNA)
where:
Base-Base interactions energy: -663.225
where: short stacking energy: -260.187
Base-Backbone interact. energy: 0.356
local terms energy: -274.562875
where:
bonds (distance) C4'-P energy: -56.848
bonds (distance) P-C4' energy: -54.292
flat angles C4'-P-C4' energy: -58.570
flat angles P-C4'-P energy: -32.950
tors. eta vs tors. theta energy: -71.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -873.190027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.190027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.190027 (E_RNA)
where:
Base-Base interactions energy: -613.714
where: short stacking energy: -258.818
Base-Backbone interact. energy: 2.414
local terms energy: -261.890624
where:
bonds (distance) C4'-P energy: -47.259
bonds (distance) P-C4' energy: -56.256
flat angles C4'-P-C4' energy: -49.334
flat angles P-C4'-P energy: -33.765
tors. eta vs tors. theta energy: -75.277
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: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -877.087107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.087107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.087107 (E_RNA)
where:
Base-Base interactions energy: -608.781
where: short stacking energy: -240.628
Base-Backbone interact. energy: -0.945
local terms energy: -267.361726
where:
bonds (distance) C4'-P energy: -48.318
bonds (distance) P-C4' energy: -53.114
flat angles C4'-P-C4' energy: -57.031
flat angles P-C4'-P energy: -39.699
tors. eta vs tors. theta energy: -69.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -829.587246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.587246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.587246 (E_RNA)
where:
Base-Base interactions energy: -592.578
where: short stacking energy: -247.077
Base-Backbone interact. energy: 2.168
local terms energy: -239.177297
where:
bonds (distance) C4'-P energy: -44.269
bonds (distance) P-C4' energy: -31.592
flat angles C4'-P-C4' energy: -58.333
flat angles P-C4'-P energy: -37.476
tors. eta vs tors. theta energy: -67.508
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: 5, replica: 1
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -788.171672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.171672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.171672 (E_RNA)
where:
Base-Base interactions energy: -548.113
where: short stacking energy: -228.317
Base-Backbone interact. energy: -0.643
local terms energy: -239.415445
where:
bonds (distance) C4'-P energy: -44.431
bonds (distance) P-C4' energy: -43.319
flat angles C4'-P-C4' energy: -54.233
flat angles P-C4'-P energy: -35.523
tors. eta vs tors. theta energy: -61.910
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: 7
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -701.553934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.553934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.553934 (E_RNA)
where:
Base-Base interactions energy: -479.025
where: short stacking energy: -207.710
Base-Backbone interact. energy: -1.030
local terms energy: -221.499320
where:
bonds (distance) C4'-P energy: -38.618
bonds (distance) P-C4' energy: -42.623
flat angles C4'-P-C4' energy: -53.107
flat angles P-C4'-P energy: -30.184
tors. eta vs tors. theta energy: -56.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -665.159266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.159266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.159266 (E_RNA)
where:
Base-Base interactions energy: -444.929
where: short stacking energy: -175.904
Base-Backbone interact. energy: -0.692
local terms energy: -219.537893
where:
bonds (distance) C4'-P energy: -49.030
bonds (distance) P-C4' energy: -43.028
flat angles C4'-P-C4' energy: -59.000
flat angles P-C4'-P energy: -26.745
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: 10
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -393.927998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.927998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.927998 (E_RNA)
where:
Base-Base interactions energy: -217.980
where: short stacking energy: -105.929
Base-Backbone interact. energy: -1.372
local terms energy: -174.576022
where:
bonds (distance) C4'-P energy: -50.700
bonds (distance) P-C4' energy: -53.117
flat angles C4'-P-C4' energy: -39.005
flat angles P-C4'-P energy: -17.109
tors. eta vs tors. theta energy: -14.646
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: 81
Temperature: 1.300000
Total energy: -420.939063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.939063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.939063 (E_RNA)
where:
Base-Base interactions energy: -258.900
where: short stacking energy: -123.196
Base-Backbone interact. energy: -2.226
local terms energy: -159.812824
where:
bonds (distance) C4'-P energy: -35.315
bonds (distance) P-C4' energy: -39.458
flat angles C4'-P-C4' energy: -43.444
flat angles P-C4'-P energy: -22.216
tors. eta vs tors. theta energy: -19.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -229.799034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.799034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.799034 (E_RNA)
where:
Base-Base interactions energy: -71.395
where: short stacking energy: -62.262
Base-Backbone interact. energy: 0.250
local terms energy: -158.653873
where:
bonds (distance) C4'-P energy: -49.941
bonds (distance) P-C4' energy: -51.970
flat angles C4'-P-C4' energy: -29.142
flat angles P-C4'-P energy: -23.343
tors. eta vs tors. theta energy: -4.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -938.251755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.251755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.251755 (E_RNA)
where:
Base-Base interactions energy: -654.281
where: short stacking energy: -267.332
Base-Backbone interact. energy: 0.285
local terms energy: -284.255047
where:
bonds (distance) C4'-P energy: -49.740
bonds (distance) P-C4' energy: -55.741
flat angles C4'-P-C4' energy: -55.579
flat angles P-C4'-P energy: -45.983
tors. eta vs tors. theta energy: -77.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -879.318641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.318641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.318641 (E_RNA)
where:
Base-Base interactions energy: -590.332
where: short stacking energy: -257.183
Base-Backbone interact. energy: 0.268
local terms energy: -289.255108
where:
bonds (distance) C4'-P energy: -56.951
bonds (distance) P-C4' energy: -54.092
flat angles C4'-P-C4' energy: -59.085
flat angles P-C4'-P energy: -43.566
tors. eta vs tors. theta energy: -75.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -875.643343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.643343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.643343 (E_RNA)
where:
Base-Base interactions energy: -611.979
where: short stacking energy: -256.508
Base-Backbone interact. energy: -2.281
local terms energy: -261.383362
where:
bonds (distance) C4'-P energy: -52.799
bonds (distance) P-C4' energy: -43.061
flat angles C4'-P-C4' energy: -57.998
flat angles P-C4'-P energy: -32.205
tors. eta vs tors. theta energy: -75.319
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: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -827.032405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.032405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.032405 (E_RNA)
where:
Base-Base interactions energy: -562.664
where: short stacking energy: -233.387
Base-Backbone interact. energy: -0.122
local terms energy: -264.246171
where:
bonds (distance) C4'-P energy: -42.227
bonds (distance) P-C4' energy: -55.466
flat angles C4'-P-C4' energy: -63.552
flat angles P-C4'-P energy: -30.207
tors. eta vs tors. theta energy: -72.795
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: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -797.422928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.422928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.422928 (E_RNA)
where:
Base-Base interactions energy: -546.729
where: short stacking energy: -231.551
Base-Backbone interact. energy: -2.481
local terms energy: -248.213038
where:
bonds (distance) C4'-P energy: -56.329
bonds (distance) P-C4' energy: -43.087
flat angles C4'-P-C4' energy: -50.148
flat angles P-C4'-P energy: -32.035
tors. eta vs tors. theta energy: -66.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -760.601240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.601240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.601240 (E_RNA)
where:
Base-Base interactions energy: -512.601
where: short stacking energy: -226.911
Base-Backbone interact. energy: 0.617
local terms energy: -248.617679
where:
bonds (distance) C4'-P energy: -44.110
bonds (distance) P-C4' energy: -44.277
flat angles C4'-P-C4' energy: -54.999
flat angles P-C4'-P energy: -35.928
tors. eta vs tors. theta energy: -69.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -683.502491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.502491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.502491 (E_RNA)
where:
Base-Base interactions energy: -470.051
where: short stacking energy: -204.465
Base-Backbone interact. energy: -0.870
local terms energy: -212.581417
where:
bonds (distance) C4'-P energy: -42.173
bonds (distance) P-C4' energy: -42.641
flat angles C4'-P-C4' energy: -47.275
flat angles P-C4'-P energy: -22.807
tors. eta vs tors. theta energy: -57.686
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: 10
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -405.136310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.136310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.136310 (E_RNA)
where:
Base-Base interactions energy: -210.192
where: short stacking energy: -100.743
Base-Backbone interact. energy: 0.529
local terms energy: -195.473091
where:
bonds (distance) C4'-P energy: -48.272
bonds (distance) P-C4' energy: -59.658
flat angles C4'-P-C4' energy: -34.059
flat angles P-C4'-P energy: -37.989
tors. eta vs tors. theta energy: -15.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -319.549775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.549775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.549775 (E_RNA)
where:
Base-Base interactions energy: -148.921
where: short stacking energy: -92.241
Base-Backbone interact. energy: -1.196
local terms energy: -169.432876
where:
bonds (distance) C4'-P energy: -47.297
bonds (distance) P-C4' energy: -50.111
flat angles C4'-P-C4' energy: -39.539
flat angles P-C4'-P energy: -28.333
tors. eta vs tors. theta energy: -4.154
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: 10, replica: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -229.829869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.829869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.829869 (E_RNA)
where:
Base-Base interactions energy: -92.573
where: short stacking energy: -61.838
Base-Backbone interact. energy: -0.532
local terms energy: -136.725207
where:
bonds (distance) C4'-P energy: -49.324
bonds (distance) P-C4' energy: -39.932
flat angles C4'-P-C4' energy: -25.761
flat angles P-C4'-P energy: -21.538
tors. eta vs tors. theta energy: -0.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -949.371820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.371820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.371820 (E_RNA)
where:
Base-Base interactions energy: -658.453
where: short stacking energy: -271.235
Base-Backbone interact. energy: -1.495
local terms energy: -289.423327
where:
bonds (distance) C4'-P energy: -62.218
bonds (distance) P-C4' energy: -52.795
flat angles C4'-P-C4' energy: -58.161
flat angles P-C4'-P energy: -40.609
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: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -886.367491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.367491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.367491 (E_RNA)
where:
Base-Base interactions energy: -619.780
where: short stacking energy: -256.145
Base-Backbone interact. energy: -1.726
local terms energy: -264.861010
where:
bonds (distance) C4'-P energy: -48.189
bonds (distance) P-C4' energy: -49.870
flat angles C4'-P-C4' energy: -52.710
flat angles P-C4'-P energy: -36.850
tors. eta vs tors. theta energy: -77.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -845.604391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.604391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.604391 (E_RNA)
where:
Base-Base interactions energy: -575.163
where: short stacking energy: -256.420
Base-Backbone interact. energy: -0.841
local terms energy: -269.600778
where:
bonds (distance) C4'-P energy: -45.843
bonds (distance) P-C4' energy: -51.156
flat angles C4'-P-C4' energy: -56.591
flat angles P-C4'-P energy: -36.367
tors. eta vs tors. theta energy: -79.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -822.919729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.919729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.919729 (E_RNA)
where:
Base-Base interactions energy: -559.694
where: short stacking energy: -234.154
Base-Backbone interact. energy: -0.705
local terms energy: -262.520731
where:
bonds (distance) C4'-P energy: -44.091
bonds (distance) P-C4' energy: -58.645
flat angles C4'-P-C4' energy: -54.664
flat angles P-C4'-P energy: -35.133
tors. eta vs tors. theta energy: -69.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -804.494144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.494144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.494144 (E_RNA)
where:
Base-Base interactions energy: -552.983
where: short stacking energy: -230.412
Base-Backbone interact. energy: -1.711
local terms energy: -249.800012
where:
bonds (distance) C4'-P energy: -44.564
bonds (distance) P-C4' energy: -49.267
flat angles C4'-P-C4' energy: -54.526
flat angles P-C4'-P energy: -37.409
tors. eta vs tors. theta energy: -64.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -693.335962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.335962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.335962 (E_RNA)
where:
Base-Base interactions energy: -453.302
where: short stacking energy: -200.054
Base-Backbone interact. energy: -1.655
local terms energy: -238.378211
where:
bonds (distance) C4'-P energy: -51.813
bonds (distance) P-C4' energy: -45.358
flat angles C4'-P-C4' energy: -54.522
flat angles P-C4'-P energy: -34.668
tors. eta vs tors. theta energy: -52.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -682.498958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.498958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.498958 (E_RNA)
where:
Base-Base interactions energy: -445.036
where: short stacking energy: -177.180
Base-Backbone interact. energy: -2.316
local terms energy: -235.146996
where:
bonds (distance) C4'-P energy: -54.260
bonds (distance) P-C4' energy: -44.517
flat angles C4'-P-C4' energy: -53.219
flat angles P-C4'-P energy: -32.639
tors. eta vs tors. theta energy: -50.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -368.769551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.769551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.769551 (E_RNA)
where:
Base-Base interactions energy: -181.126
where: short stacking energy: -116.098
Base-Backbone interact. energy: -0.910
local terms energy: -186.733146
where:
bonds (distance) C4'-P energy: -46.513
bonds (distance) P-C4' energy: -51.025
flat angles C4'-P-C4' energy: -43.935
flat angles P-C4'-P energy: -23.783
tors. eta vs tors. theta energy: -21.477
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: 10
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -378.720658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.720658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.720658 (E_RNA)
where:
Base-Base interactions energy: -205.593
where: short stacking energy: -102.201
Base-Backbone interact. energy: -0.857
local terms energy: -172.270619
where:
bonds (distance) C4'-P energy: -44.728
bonds (distance) P-C4' energy: -54.633
flat angles C4'-P-C4' energy: -43.820
flat angles P-C4'-P energy: -23.303
tors. eta vs tors. theta energy: -5.786
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: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -243.595947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.595947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.595947 (E_RNA)
where:
Base-Base interactions energy: -84.152
where: short stacking energy: -67.368
Base-Backbone interact. energy: 3.567
local terms energy: -163.011091
where:
bonds (distance) C4'-P energy: -43.041
bonds (distance) P-C4' energy: -55.916
flat angles C4'-P-C4' energy: -31.432
flat angles P-C4'-P energy: -29.846
tors. eta vs tors. theta energy: -2.775
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: 5
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -952.073203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.073203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.073203 (E_RNA)
where:
Base-Base interactions energy: -678.087
where: short stacking energy: -274.911
Base-Backbone interact. energy: -0.266
local terms energy: -273.719565
where:
bonds (distance) C4'-P energy: -51.665
bonds (distance) P-C4' energy: -46.628
flat angles C4'-P-C4' energy: -64.593
flat angles P-C4'-P energy: -32.864
tors. eta vs tors. theta energy: -77.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -899.187416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.187416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.187416 (E_RNA)
where:
Base-Base interactions energy: -634.499
where: short stacking energy: -236.059
Base-Backbone interact. energy: 2.764
local terms energy: -267.453035
where:
bonds (distance) C4'-P energy: -45.686
bonds (distance) P-C4' energy: -63.363
flat angles C4'-P-C4' energy: -62.805
flat angles P-C4'-P energy: -29.903
tors. eta vs tors. theta energy: -65.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -837.081797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.081797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.081797 (E_RNA)
where:
Base-Base interactions energy: -570.281
where: short stacking energy: -234.935
Base-Backbone interact. energy: -1.362
local terms energy: -265.438721
where:
bonds (distance) C4'-P energy: -51.431
bonds (distance) P-C4' energy: -47.442
flat angles C4'-P-C4' energy: -57.263
flat angles P-C4'-P energy: -40.455
tors. eta vs tors. theta energy: -68.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -809.775185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.775185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.775185 (E_RNA)
where:
Base-Base interactions energy: -545.432
where: short stacking energy: -239.995
Base-Backbone interact. energy: -1.883
local terms energy: -262.460678
where:
bonds (distance) C4'-P energy: -51.027
bonds (distance) P-C4' energy: -53.139
flat angles C4'-P-C4' energy: -52.595
flat angles P-C4'-P energy: -31.528
tors. eta vs tors. theta energy: -74.172
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: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -783.979546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.979546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.979546 (E_RNA)
where:
Base-Base interactions energy: -529.092
where: short stacking energy: -212.417
Base-Backbone interact. energy: -0.690
local terms energy: -254.197037
where:
bonds (distance) C4'-P energy: -47.664
bonds (distance) P-C4' energy: -54.459
flat angles C4'-P-C4' energy: -62.074
flat angles P-C4'-P energy: -32.839
tors. eta vs tors. theta energy: -57.160
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: 84
Temperature: 1.150000
Total energy: -723.776509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.776509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.776509 (E_RNA)
where:
Base-Base interactions energy: -477.952
where: short stacking energy: -194.738
Base-Backbone interact. energy: -0.975
local terms energy: -244.849893
where:
bonds (distance) C4'-P energy: -39.084
bonds (distance) P-C4' energy: -56.234
flat angles C4'-P-C4' energy: -56.642
flat angles P-C4'-P energy: -37.785
tors. eta vs tors. theta energy: -55.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -713.525115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.525115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.525115 (E_RNA)
where:
Base-Base interactions energy: -483.064
where: short stacking energy: -211.464
Base-Backbone interact. energy: -0.450
local terms energy: -230.010398
where:
bonds (distance) C4'-P energy: -45.287
bonds (distance) P-C4' energy: -38.485
flat angles C4'-P-C4' energy: -55.434
flat angles P-C4'-P energy: -29.499
tors. eta vs tors. theta energy: -61.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -367.266544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.266544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.266544 (E_RNA)
where:
Base-Base interactions energy: -202.230
where: short stacking energy: -92.974
Base-Backbone interact. energy: -2.540
local terms energy: -162.496329
where:
bonds (distance) C4'-P energy: -44.492
bonds (distance) P-C4' energy: -41.454
flat angles C4'-P-C4' energy: -35.224
flat angles P-C4'-P energy: -29.817
tors. eta vs tors. theta energy: -11.510
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: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -378.287031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.287031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.287031 (E_RNA)
where:
Base-Base interactions energy: -218.099
where: short stacking energy: -116.473
Base-Backbone interact. energy: 0.842
local terms energy: -161.029896
where:
bonds (distance) C4'-P energy: -44.372
bonds (distance) P-C4' energy: -35.499
flat angles C4'-P-C4' energy: -40.985
flat angles P-C4'-P energy: -25.859
tors. eta vs tors. theta energy: -14.315
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: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -226.938732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.938732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.938732 (E_RNA)
where:
Base-Base interactions energy: -67.331
where: short stacking energy: -64.713
Base-Backbone interact. energy: 0.163
local terms energy: -159.770529
where:
bonds (distance) C4'-P energy: -43.102
bonds (distance) P-C4' energy: -43.677
flat angles C4'-P-C4' energy: -47.475
flat angles P-C4'-P energy: -22.237
tors. eta vs tors. theta energy: -3.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -960.143681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.143681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.143681 (E_RNA)
where:
Base-Base interactions energy: -672.541
where: short stacking energy: -282.962
Base-Backbone interact. energy: -0.308
local terms energy: -287.295027
where:
bonds (distance) C4'-P energy: -51.286
bonds (distance) P-C4' energy: -53.960
flat angles C4'-P-C4' energy: -59.400
flat angles P-C4'-P energy: -39.344
tors. eta vs tors. theta energy: -83.305
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: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -922.189093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.189093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.189093 (E_RNA)
where:
Base-Base interactions energy: -647.004
where: short stacking energy: -266.639
Base-Backbone interact. energy: -1.321
local terms energy: -273.864223
where:
bonds (distance) C4'-P energy: -39.395
bonds (distance) P-C4' energy: -57.578
flat angles C4'-P-C4' energy: -62.449
flat angles P-C4'-P energy: -35.525
tors. eta vs tors. theta energy: -78.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -834.820392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.820392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.820392 (E_RNA)
where:
Base-Base interactions energy: -571.856
where: short stacking energy: -258.017
Base-Backbone interact. energy: -0.665
local terms energy: -262.299822
where:
bonds (distance) C4'-P energy: -41.141
bonds (distance) P-C4' energy: -52.836
flat angles C4'-P-C4' energy: -60.208
flat angles P-C4'-P energy: -32.493
tors. eta vs tors. theta energy: -75.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -812.941939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.941939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.941939 (E_RNA)
where:
Base-Base interactions energy: -559.937
where: short stacking energy: -236.754
Base-Backbone interact. energy: 6.007
local terms energy: -259.011964
where:
bonds (distance) C4'-P energy: -46.982
bonds (distance) P-C4' energy: -51.365
flat angles C4'-P-C4' energy: -53.544
flat angles P-C4'-P energy: -34.550
tors. eta vs tors. theta energy: -72.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -759.141410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.141410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.141410 (E_RNA)
where:
Base-Base interactions energy: -518.840
where: short stacking energy: -227.323
Base-Backbone interact. energy: -0.785
local terms energy: -239.515894
where:
bonds (distance) C4'-P energy: -42.593
bonds (distance) P-C4' energy: -44.950
flat angles C4'-P-C4' energy: -49.516
flat angles P-C4'-P energy: -35.076
tors. eta vs tors. theta energy: -67.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -746.873273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.873273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.873273 (E_RNA)
where:
Base-Base interactions energy: -483.831
where: short stacking energy: -221.291
Base-Backbone interact. energy: -0.926
local terms energy: -262.115993
where:
bonds (distance) C4'-P energy: -55.806
bonds (distance) P-C4' energy: -49.429
flat angles C4'-P-C4' energy: -50.430
flat angles P-C4'-P energy: -37.782
tors. eta vs tors. theta energy: -68.670
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: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -691.947660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.947660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.947660 (E_RNA)
where:
Base-Base interactions energy: -462.950
where: short stacking energy: -206.602
Base-Backbone interact. energy: -0.882
local terms energy: -228.115491
where:
bonds (distance) C4'-P energy: -44.055
bonds (distance) P-C4' energy: -45.460
flat angles C4'-P-C4' energy: -53.200
flat angles P-C4'-P energy: -30.927
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: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -400.262588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.262588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.262588 (E_RNA)
where:
Base-Base interactions energy: -217.127
where: short stacking energy: -114.242
Base-Backbone interact. energy: -1.575
local terms energy: -181.560993
where:
bonds (distance) C4'-P energy: -47.753
bonds (distance) P-C4' energy: -51.172
flat angles C4'-P-C4' energy: -43.237
flat angles P-C4'-P energy: -20.442
tors. eta vs tors. theta energy: -18.957
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: 85
Temperature: 1.300000
Total energy: -377.983234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.983234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.983234 (E_RNA)
where:
Base-Base interactions energy: -189.886
where: short stacking energy: -104.866
Base-Backbone interact. energy: -1.129
local terms energy: -186.967911
where:
bonds (distance) C4'-P energy: -53.415
bonds (distance) P-C4' energy: -39.909
flat angles C4'-P-C4' energy: -50.763
flat angles P-C4'-P energy: -26.255
tors. eta vs tors. theta energy: -16.626
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: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -273.813314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.813314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.813314 (E_RNA)
where:
Base-Base interactions energy: -126.913
where: short stacking energy: -83.953
Base-Backbone interact. energy: -0.424
local terms energy: -146.476308
where:
bonds (distance) C4'-P energy: -41.120
bonds (distance) P-C4' energy: -43.634
flat angles C4'-P-C4' energy: -33.149
flat angles P-C4'-P energy: -20.520
tors. eta vs tors. theta energy: -8.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -924.624042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.624042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.624042 (E_RNA)
where:
Base-Base interactions energy: -645.397
where: short stacking energy: -267.978
Base-Backbone interact. energy: -1.909
local terms energy: -277.317513
where:
bonds (distance) C4'-P energy: -48.037
bonds (distance) P-C4' energy: -48.958
flat angles C4'-P-C4' energy: -63.332
flat angles P-C4'-P energy: -44.845
tors. eta vs tors. theta energy: -72.146
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: 2, replica: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -911.043156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.043156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.043156 (E_RNA)
where:
Base-Base interactions energy: -633.286
where: short stacking energy: -251.578
Base-Backbone interact. energy: -3.320
local terms energy: -274.437268
where:
bonds (distance) C4'-P energy: -51.735
bonds (distance) P-C4' energy: -51.481
flat angles C4'-P-C4' energy: -63.588
flat angles P-C4'-P energy: -36.335
tors. eta vs tors. theta energy: -71.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -836.785827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.785827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.785827 (E_RNA)
where:
Base-Base interactions energy: -570.782
where: short stacking energy: -252.075
Base-Backbone interact. energy: 0.695
local terms energy: -266.699145
where:
bonds (distance) C4'-P energy: -47.279
bonds (distance) P-C4' energy: -59.076
flat angles C4'-P-C4' energy: -50.900
flat angles P-C4'-P energy: -33.901
tors. eta vs tors. theta energy: -75.542
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: 1
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -817.339529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.339529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.339529 (E_RNA)
where:
Base-Base interactions energy: -567.397
where: short stacking energy: -224.857
Base-Backbone interact. energy: -0.159
local terms energy: -249.783127
where:
bonds (distance) C4'-P energy: -48.281
bonds (distance) P-C4' energy: -49.182
flat angles C4'-P-C4' energy: -56.925
flat angles P-C4'-P energy: -35.164
tors. eta vs tors. theta energy: -60.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -762.892779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.892779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.892779 (E_RNA)
where:
Base-Base interactions energy: -521.305
where: short stacking energy: -212.561
Base-Backbone interact. energy: 0.455
local terms energy: -242.042587
where:
bonds (distance) C4'-P energy: -46.075
bonds (distance) P-C4' energy: -46.895
flat angles C4'-P-C4' energy: -58.805
flat angles P-C4'-P energy: -30.568
tors. eta vs tors. theta energy: -59.700
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: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -764.811145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.811145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.811145 (E_RNA)
where:
Base-Base interactions energy: -518.758
where: short stacking energy: -217.148
Base-Backbone interact. energy: -2.114
local terms energy: -243.938955
where:
bonds (distance) C4'-P energy: -49.880
bonds (distance) P-C4' energy: -46.288
flat angles C4'-P-C4' energy: -56.192
flat angles P-C4'-P energy: -29.455
tors. eta vs tors. theta energy: -62.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -738.661295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.661295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.661295 (E_RNA)
where:
Base-Base interactions energy: -486.789
where: short stacking energy: -211.170
Base-Backbone interact. energy: -1.103
local terms energy: -250.769042
where:
bonds (distance) C4'-P energy: -51.297
bonds (distance) P-C4' energy: -40.492
flat angles C4'-P-C4' energy: -57.600
flat angles P-C4'-P energy: -37.597
tors. eta vs tors. theta energy: -63.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -465.441381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.441381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.441381 (E_RNA)
where:
Base-Base interactions energy: -290.194
where: short stacking energy: -124.025
Base-Backbone interact. energy: -1.950
local terms energy: -173.296968
where:
bonds (distance) C4'-P energy: -43.649
bonds (distance) P-C4' energy: -47.424
flat angles C4'-P-C4' energy: -46.105
flat angles P-C4'-P energy: -20.517
tors. eta vs tors. theta energy: -15.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -381.077469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.077469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.077469 (E_RNA)
where:
Base-Base interactions energy: -213.303
where: short stacking energy: -122.132
Base-Backbone interact. energy: -0.743
local terms energy: -167.031142
where:
bonds (distance) C4'-P energy: -47.262
bonds (distance) P-C4' energy: -44.313
flat angles C4'-P-C4' energy: -49.788
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -9.061
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: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -238.852256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.852256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.852256 (E_RNA)
where:
Base-Base interactions energy: -102.769
where: short stacking energy: -60.335
Base-Backbone interact. energy: -0.536
local terms energy: -135.547193
where:
bonds (distance) C4'-P energy: -52.233
bonds (distance) P-C4' energy: -44.709
flat angles C4'-P-C4' energy: -25.693
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: 0.357
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: 1, replica: 5
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -941.684264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.684264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.684264 (E_RNA)
where:
Base-Base interactions energy: -652.915
where: short stacking energy: -263.944
Base-Backbone interact. energy: -2.617
local terms energy: -286.152955
where:
bonds (distance) C4'-P energy: -60.657
bonds (distance) P-C4' energy: -51.746
flat angles C4'-P-C4' energy: -52.585
flat angles P-C4'-P energy: -42.629
tors. eta vs tors. theta energy: -78.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -913.873859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.873859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.873859 (E_RNA)
where:
Base-Base interactions energy: -638.718
where: short stacking energy: -253.928
Base-Backbone interact. energy: -2.518
local terms energy: -272.637590
where:
bonds (distance) C4'-P energy: -54.970
bonds (distance) P-C4' energy: -50.561
flat angles C4'-P-C4' energy: -52.554
flat angles P-C4'-P energy: -37.997
tors. eta vs tors. theta energy: -76.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -858.324878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.324878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.324878 (E_RNA)
where:
Base-Base interactions energy: -588.123
where: short stacking energy: -259.544
Base-Backbone interact. energy: -1.254
local terms energy: -268.948207
where:
bonds (distance) C4'-P energy: -42.807
bonds (distance) P-C4' energy: -54.616
flat angles C4'-P-C4' energy: -53.444
flat angles P-C4'-P energy: -43.332
tors. eta vs tors. theta energy: -74.749
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: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -816.148132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.148132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.148132 (E_RNA)
where:
Base-Base interactions energy: -558.320
where: short stacking energy: -251.816
Base-Backbone interact. energy: -2.007
local terms energy: -255.821947
where:
bonds (distance) C4'-P energy: -43.487
bonds (distance) P-C4' energy: -55.513
flat angles C4'-P-C4' energy: -57.683
flat angles P-C4'-P energy: -23.298
tors. eta vs tors. theta energy: -75.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -772.873502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.873502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.873502 (E_RNA)
where:
Base-Base interactions energy: -542.320
where: short stacking energy: -214.936
Base-Backbone interact. energy: -2.742
local terms energy: -227.812192
where:
bonds (distance) C4'-P energy: -48.526
bonds (distance) P-C4' energy: -45.546
flat angles C4'-P-C4' energy: -43.195
flat angles P-C4'-P energy: -32.263
tors. eta vs tors. theta energy: -58.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -762.629236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.629236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.629236 (E_RNA)
where:
Base-Base interactions energy: -514.152
where: short stacking energy: -229.667
Base-Backbone interact. energy: -1.213
local terms energy: -247.264199
where:
bonds (distance) C4'-P energy: -39.546
bonds (distance) P-C4' energy: -42.632
flat angles C4'-P-C4' energy: -54.632
flat angles P-C4'-P energy: -45.296
tors. eta vs tors. theta energy: -65.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -681.353310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.353310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.353310 (E_RNA)
where:
Base-Base interactions energy: -457.832
where: short stacking energy: -196.065
Base-Backbone interact. energy: 0.716
local terms energy: -224.237114
where:
bonds (distance) C4'-P energy: -38.086
bonds (distance) P-C4' energy: -59.333
flat angles C4'-P-C4' energy: -49.226
flat angles P-C4'-P energy: -29.163
tors. eta vs tors. theta energy: -48.430
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: 10
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -459.030296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.030296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.030296 (E_RNA)
where:
Base-Base interactions energy: -277.893
where: short stacking energy: -122.500
Base-Backbone interact. energy: -2.303
local terms energy: -178.833968
where:
bonds (distance) C4'-P energy: -46.365
bonds (distance) P-C4' energy: -50.428
flat angles C4'-P-C4' energy: -51.132
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -14.337
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: 87
Temperature: 1.300000
Total energy: -388.544700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.544700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.544700 (E_RNA)
where:
Base-Base interactions energy: -206.329
where: short stacking energy: -110.252
Base-Backbone interact. energy: -0.520
local terms energy: -181.696345
where:
bonds (distance) C4'-P energy: -54.094
bonds (distance) P-C4' energy: -49.588
flat angles C4'-P-C4' energy: -43.618
flat angles P-C4'-P energy: -20.974
tors. eta vs tors. theta energy: -13.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -221.692040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.692040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.692040 (E_RNA)
where:
Base-Base interactions energy: -62.020
where: short stacking energy: -60.162
Base-Backbone interact. energy: -0.610
local terms energy: -159.062140
where:
bonds (distance) C4'-P energy: -50.111
bonds (distance) P-C4' energy: -48.264
flat angles C4'-P-C4' energy: -36.406
flat angles P-C4'-P energy: -25.123
tors. eta vs tors. theta energy: 0.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -938.761754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.761754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.761754 (E_RNA)
where:
Base-Base interactions energy: -651.237
where: short stacking energy: -255.672
Base-Backbone interact. energy: -1.374
local terms energy: -286.150859
where:
bonds (distance) C4'-P energy: -47.917
bonds (distance) P-C4' energy: -61.844
flat angles C4'-P-C4' energy: -56.135
flat angles P-C4'-P energy: -44.154
tors. eta vs tors. theta energy: -76.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -930.305658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.305658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.305658 (E_RNA)
where:
Base-Base interactions energy: -655.021
where: short stacking energy: -250.721
Base-Backbone interact. energy: -1.271
local terms energy: -274.014236
where:
bonds (distance) C4'-P energy: -52.760
bonds (distance) P-C4' energy: -49.973
flat angles C4'-P-C4' energy: -60.248
flat angles P-C4'-P energy: -35.913
tors. eta vs tors. theta energy: -75.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -823.289849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.289849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.289849 (E_RNA)
where:
Base-Base interactions energy: -565.212
where: short stacking energy: -241.558
Base-Backbone interact. energy: -1.096
local terms energy: -256.981949
where:
bonds (distance) C4'-P energy: -45.461
bonds (distance) P-C4' energy: -43.793
flat angles C4'-P-C4' energy: -52.271
flat angles P-C4'-P energy: -45.169
tors. eta vs tors. theta energy: -70.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -838.589632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.589632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.589632 (E_RNA)
where:
Base-Base interactions energy: -574.508
where: short stacking energy: -250.788
Base-Backbone interact. energy: -2.845
local terms energy: -261.237395
where:
bonds (distance) C4'-P energy: -48.073
bonds (distance) P-C4' energy: -55.013
flat angles C4'-P-C4' energy: -53.312
flat angles P-C4'-P energy: -30.624
tors. eta vs tors. theta energy: -74.216
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: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -783.076763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.076763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.076763 (E_RNA)
where:
Base-Base interactions energy: -545.051
where: short stacking energy: -220.746
Base-Backbone interact. energy: 0.705
local terms energy: -238.730222
where:
bonds (distance) C4'-P energy: -49.241
bonds (distance) P-C4' energy: -43.359
flat angles C4'-P-C4' energy: -51.945
flat angles P-C4'-P energy: -38.397
tors. eta vs tors. theta energy: -55.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -739.617662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.617662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.617662 (E_RNA)
where:
Base-Base interactions energy: -492.697
where: short stacking energy: -216.431
Base-Backbone interact. energy: 1.166
local terms energy: -248.086695
where:
bonds (distance) C4'-P energy: -44.074
bonds (distance) P-C4' energy: -48.272
flat angles C4'-P-C4' energy: -49.378
flat angles P-C4'-P energy: -38.144
tors. eta vs tors. theta energy: -68.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -709.785609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.785609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.785609 (E_RNA)
where:
Base-Base interactions energy: -463.270
where: short stacking energy: -186.593
Base-Backbone interact. energy: 0.949
local terms energy: -247.465272
where:
bonds (distance) C4'-P energy: -52.627
bonds (distance) P-C4' energy: -49.393
flat angles C4'-P-C4' energy: -50.523
flat angles P-C4'-P energy: -33.566
tors. eta vs tors. theta energy: -61.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -433.432673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.432673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.432673 (E_RNA)
where:
Base-Base interactions energy: -285.664
where: short stacking energy: -123.644
Base-Backbone interact. energy: 0.927
local terms energy: -148.695836
where:
bonds (distance) C4'-P energy: -37.580
bonds (distance) P-C4' energy: -43.136
flat angles C4'-P-C4' energy: -41.806
flat angles P-C4'-P energy: -20.299
tors. eta vs tors. theta energy: -5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -414.921447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.921447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.921447 (E_RNA)
where:
Base-Base interactions energy: -254.608
where: short stacking energy: -124.743
Base-Backbone interact. energy: 1.075
local terms energy: -161.388482
where:
bonds (distance) C4'-P energy: -38.822
bonds (distance) P-C4' energy: -47.165
flat angles C4'-P-C4' energy: -41.340
flat angles P-C4'-P energy: -16.039
tors. eta vs tors. theta energy: -18.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -243.571272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.571272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.571272 (E_RNA)
where:
Base-Base interactions energy: -110.405
where: short stacking energy: -78.300
Base-Backbone interact. energy: -1.995
local terms energy: -131.172106
where:
bonds (distance) C4'-P energy: -47.452
bonds (distance) P-C4' energy: -46.537
flat angles C4'-P-C4' energy: -29.562
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: 5.190
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: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -931.778755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.778755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.778755 (E_RNA)
where:
Base-Base interactions energy: -645.138
where: short stacking energy: -267.355
Base-Backbone interact. energy: -1.969
local terms energy: -284.671545
where:
bonds (distance) C4'-P energy: -51.379
bonds (distance) P-C4' energy: -54.778
flat angles C4'-P-C4' energy: -58.687
flat angles P-C4'-P energy: -39.843
tors. eta vs tors. theta energy: -79.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -907.786257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.786257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.786257 (E_RNA)
where:
Base-Base interactions energy: -628.924
where: short stacking energy: -241.474
Base-Backbone interact. energy: -1.875
local terms energy: -276.987435
where:
bonds (distance) C4'-P energy: -45.113
bonds (distance) P-C4' energy: -54.408
flat angles C4'-P-C4' energy: -63.873
flat angles P-C4'-P energy: -41.302
tors. eta vs tors. theta energy: -72.291
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: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -837.451861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.451861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.451861 (E_RNA)
where:
Base-Base interactions energy: -565.406
where: short stacking energy: -271.847
Base-Backbone interact. energy: 0.087
local terms energy: -272.132366
where:
bonds (distance) C4'-P energy: -54.427
bonds (distance) P-C4' energy: -39.191
flat angles C4'-P-C4' energy: -62.904
flat angles P-C4'-P energy: -38.129
tors. eta vs tors. theta energy: -77.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -850.912227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.912227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.912227 (E_RNA)
where:
Base-Base interactions energy: -582.006
where: short stacking energy: -228.584
Base-Backbone interact. energy: -0.131
local terms energy: -268.774874
where:
bonds (distance) C4'-P energy: -61.350
bonds (distance) P-C4' energy: -48.743
flat angles C4'-P-C4' energy: -54.685
flat angles P-C4'-P energy: -38.058
tors. eta vs tors. theta energy: -65.939
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: 89
Temperature: 1.100000
Total energy: -796.798873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.798873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.798873 (E_RNA)
where:
Base-Base interactions energy: -558.721
where: short stacking energy: -216.608
Base-Backbone interact. energy: -1.522
local terms energy: -236.556026
where:
bonds (distance) C4'-P energy: -40.986
bonds (distance) P-C4' energy: -48.461
flat angles C4'-P-C4' energy: -57.686
flat angles P-C4'-P energy: -36.061
tors. eta vs tors. theta energy: -53.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -735.452423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.452423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.452423 (E_RNA)
where:
Base-Base interactions energy: -497.461
where: short stacking energy: -218.515
Base-Backbone interact. energy: 2.361
local terms energy: -240.353105
where:
bonds (distance) C4'-P energy: -41.598
bonds (distance) P-C4' energy: -48.475
flat angles C4'-P-C4' energy: -50.265
flat angles P-C4'-P energy: -37.486
tors. eta vs tors. theta energy: -62.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -678.983356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.983356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.983356 (E_RNA)
where:
Base-Base interactions energy: -470.640
where: short stacking energy: -222.966
Base-Backbone interact. energy: -0.397
local terms energy: -207.947097
where:
bonds (distance) C4'-P energy: -31.260
bonds (distance) P-C4' energy: -48.250
flat angles C4'-P-C4' energy: -50.125
flat angles P-C4'-P energy: -21.760
tors. eta vs tors. theta energy: -56.552
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: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -463.548943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.548943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.548943 (E_RNA)
where:
Base-Base interactions energy: -296.399
where: short stacking energy: -124.094
Base-Backbone interact. energy: -2.077
local terms energy: -165.072820
where:
bonds (distance) C4'-P energy: -42.916
bonds (distance) P-C4' energy: -43.316
flat angles C4'-P-C4' energy: -50.365
flat angles P-C4'-P energy: -20.429
tors. eta vs tors. theta energy: -8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -385.495563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.495563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.495563 (E_RNA)
where:
Base-Base interactions energy: -234.455
where: short stacking energy: -120.110
Base-Backbone interact. energy: 0.627
local terms energy: -151.667901
where:
bonds (distance) C4'-P energy: -29.770
bonds (distance) P-C4' energy: -43.049
flat angles C4'-P-C4' energy: -38.382
flat angles P-C4'-P energy: -26.191
tors. eta vs tors. theta energy: -14.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -249.966018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.966018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.966018 (E_RNA)
where:
Base-Base interactions energy: -104.936
where: short stacking energy: -53.385
Base-Backbone interact. energy: -0.081
local terms energy: -144.948886
where:
bonds (distance) C4'-P energy: -38.853
bonds (distance) P-C4' energy: -45.161
flat angles C4'-P-C4' energy: -42.293
flat angles P-C4'-P energy: -27.376
tors. eta vs tors. theta energy: 8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -941.144849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.144849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.144849 (E_RNA)
where:
Base-Base interactions energy: -651.550
where: short stacking energy: -262.642
Base-Backbone interact. energy: 2.692
local terms energy: -292.286050
where:
bonds (distance) C4'-P energy: -53.359
bonds (distance) P-C4' energy: -57.931
flat angles C4'-P-C4' energy: -65.908
flat angles P-C4'-P energy: -39.382
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: 2, replica: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -912.744013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.744013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.744013 (E_RNA)
where:
Base-Base interactions energy: -630.653
where: short stacking energy: -254.116
Base-Backbone interact. energy: -1.778
local terms energy: -280.312839
where:
bonds (distance) C4'-P energy: -47.571
bonds (distance) P-C4' energy: -54.339
flat angles C4'-P-C4' energy: -57.266
flat angles P-C4'-P energy: -42.335
tors. eta vs tors. theta energy: -78.802
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: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -827.672227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.672227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.672227 (E_RNA)
where:
Base-Base interactions energy: -557.872
where: short stacking energy: -241.863
Base-Backbone interact. energy: 5.758
local terms energy: -275.557862
where:
bonds (distance) C4'-P energy: -52.999
bonds (distance) P-C4' energy: -55.735
flat angles C4'-P-C4' energy: -51.246
flat angles P-C4'-P energy: -43.205
tors. eta vs tors. theta energy: -72.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -829.824991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.824991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.824991 (E_RNA)
where:
Base-Base interactions energy: -569.464
where: short stacking energy: -242.316
Base-Backbone interact. energy: 0.971
local terms energy: -261.332157
where:
bonds (distance) C4'-P energy: -44.465
bonds (distance) P-C4' energy: -48.618
flat angles C4'-P-C4' energy: -60.474
flat angles P-C4'-P energy: -36.105
tors. eta vs tors. theta energy: -71.671
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: 90
Temperature: 1.100000
Total energy: -803.438145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.438145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.438145 (E_RNA)
where:
Base-Base interactions energy: -540.089
where: short stacking energy: -217.927
Base-Backbone interact. energy: -0.003
local terms energy: -263.345767
where:
bonds (distance) C4'-P energy: -48.958
bonds (distance) P-C4' energy: -55.746
flat angles C4'-P-C4' energy: -59.937
flat angles P-C4'-P energy: -39.497
tors. eta vs tors. theta energy: -59.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -727.099535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.099535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.099535 (E_RNA)
where:
Base-Base interactions energy: -488.540
where: short stacking energy: -211.609
Base-Backbone interact. energy: 0.445
local terms energy: -239.003869
where:
bonds (distance) C4'-P energy: -44.320
bonds (distance) P-C4' energy: -53.031
flat angles C4'-P-C4' energy: -57.481
flat angles P-C4'-P energy: -29.722
tors. eta vs tors. theta energy: -54.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -663.754896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.754896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.754896 (E_RNA)
where:
Base-Base interactions energy: -431.456
where: short stacking energy: -198.349
Base-Backbone interact. energy: -0.350
local terms energy: -231.948443
where:
bonds (distance) C4'-P energy: -48.284
bonds (distance) P-C4' energy: -54.502
flat angles C4'-P-C4' energy: -56.337
flat angles P-C4'-P energy: -27.202
tors. eta vs tors. theta energy: -45.623
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: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -503.587145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.587145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.587145 (E_RNA)
where:
Base-Base interactions energy: -299.067
where: short stacking energy: -140.062
Base-Backbone interact. energy: -0.140
local terms energy: -204.380393
where:
bonds (distance) C4'-P energy: -47.509
bonds (distance) P-C4' energy: -49.208
flat angles C4'-P-C4' energy: -47.300
flat angles P-C4'-P energy: -34.007
tors. eta vs tors. theta energy: -26.356
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: 90
Temperature: 1.300000
Total energy: -287.149649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.149649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.149649 (E_RNA)
where:
Base-Base interactions energy: -120.979
where: short stacking energy: -72.445
Base-Backbone interact. energy: 0.467
local terms energy: -166.637630
where:
bonds (distance) C4'-P energy: -45.817
bonds (distance) P-C4' energy: -52.428
flat angles C4'-P-C4' energy: -36.485
flat angles P-C4'-P energy: -31.110
tors. eta vs tors. theta energy: -0.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -272.656433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.656433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.656433 (E_RNA)
where:
Base-Base interactions energy: -141.194
where: short stacking energy: -93.278
Base-Backbone interact. energy: 1.349
local terms energy: -132.811122
where:
bonds (distance) C4'-P energy: -34.877
bonds (distance) P-C4' energy: -53.089
flat angles C4'-P-C4' energy: -35.760
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: 3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -946.644282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.644282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.644282 (E_RNA)
where:
Base-Base interactions energy: -669.794
where: short stacking energy: -254.376
Base-Backbone interact. energy: -3.153
local terms energy: -273.697136
where:
bonds (distance) C4'-P energy: -47.184
bonds (distance) P-C4' energy: -54.692
flat angles C4'-P-C4' energy: -54.522
flat angles P-C4'-P energy: -42.938
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: 2, replica: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -851.909625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.909625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.909625 (E_RNA)
where:
Base-Base interactions energy: -581.006
where: short stacking energy: -251.041
Base-Backbone interact. energy: 2.359
local terms energy: -273.263223
where:
bonds (distance) C4'-P energy: -57.163
bonds (distance) P-C4' energy: -46.258
flat angles C4'-P-C4' energy: -61.529
flat angles P-C4'-P energy: -34.650
tors. eta vs tors. theta energy: -73.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -889.688912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.688912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.688912 (E_RNA)
where:
Base-Base interactions energy: -610.343
where: short stacking energy: -248.250
Base-Backbone interact. energy: -5.012
local terms energy: -274.334520
where:
bonds (distance) C4'-P energy: -47.505
bonds (distance) P-C4' energy: -58.057
flat angles C4'-P-C4' energy: -56.076
flat angles P-C4'-P energy: -43.687
tors. eta vs tors. theta energy: -69.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -832.582382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.582382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.582382 (E_RNA)
where:
Base-Base interactions energy: -571.478
where: short stacking energy: -232.403
Base-Backbone interact. energy: -1.716
local terms energy: -259.388603
where:
bonds (distance) C4'-P energy: -51.151
bonds (distance) P-C4' energy: -42.691
flat angles C4'-P-C4' energy: -56.510
flat angles P-C4'-P energy: -36.285
tors. eta vs tors. theta energy: -72.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -805.708014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.708014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.708014 (E_RNA)
where:
Base-Base interactions energy: -545.809
where: short stacking energy: -230.315
Base-Backbone interact. energy: -1.034
local terms energy: -258.865384
where:
bonds (distance) C4'-P energy: -45.000
bonds (distance) P-C4' energy: -54.354
flat angles C4'-P-C4' energy: -55.571
flat angles P-C4'-P energy: -43.583
tors. eta vs tors. theta energy: -60.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -706.167121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.167121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.167121 (E_RNA)
where:
Base-Base interactions energy: -464.395
where: short stacking energy: -200.783
Base-Backbone interact. energy: -0.087
local terms energy: -241.684841
where:
bonds (distance) C4'-P energy: -46.483
bonds (distance) P-C4' energy: -53.849
flat angles C4'-P-C4' energy: -50.516
flat angles P-C4'-P energy: -40.419
tors. eta vs tors. theta energy: -50.418
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: 6
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -661.455672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.455672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.455672 (E_RNA)
where:
Base-Base interactions energy: -443.893
where: short stacking energy: -197.723
Base-Backbone interact. energy: -2.172
local terms energy: -215.390071
where:
bonds (distance) C4'-P energy: -33.862
bonds (distance) P-C4' energy: -45.505
flat angles C4'-P-C4' energy: -48.981
flat angles P-C4'-P energy: -32.343
tors. eta vs tors. theta energy: -54.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -474.426516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.426516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.426516 (E_RNA)
where:
Base-Base interactions energy: -296.182
where: short stacking energy: -146.738
Base-Backbone interact. energy: -0.035
local terms energy: -178.208789
where:
bonds (distance) C4'-P energy: -42.623
bonds (distance) P-C4' energy: -49.548
flat angles C4'-P-C4' energy: -49.967
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -20.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -277.269187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.269187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.269187 (E_RNA)
where:
Base-Base interactions energy: -137.669
where: short stacking energy: -72.808
Base-Backbone interact. energy: -0.142
local terms energy: -139.457693
where:
bonds (distance) C4'-P energy: -35.558
bonds (distance) P-C4' energy: -49.904
flat angles C4'-P-C4' energy: -39.753
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: 0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -238.346422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.346422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.346422 (E_RNA)
where:
Base-Base interactions energy: -86.308
where: short stacking energy: -65.863
Base-Backbone interact. energy: 2.109
local terms energy: -154.147934
where:
bonds (distance) C4'-P energy: -43.744
bonds (distance) P-C4' energy: -44.127
flat angles C4'-P-C4' energy: -35.236
flat angles P-C4'-P energy: -27.292
tors. eta vs tors. theta energy: -3.749
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: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -942.491449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.491449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.491449 (E_RNA)
where:
Base-Base interactions energy: -666.740
where: short stacking energy: -261.874
Base-Backbone interact. energy: -2.329
local terms energy: -273.423256
where:
bonds (distance) C4'-P energy: -49.003
bonds (distance) P-C4' energy: -52.150
flat angles C4'-P-C4' energy: -66.674
flat angles P-C4'-P energy: -37.411
tors. eta vs tors. theta energy: -68.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -867.086275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.086275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.086275 (E_RNA)
where:
Base-Base interactions energy: -583.153
where: short stacking energy: -276.918
Base-Backbone interact. energy: -2.611
local terms energy: -281.322630
where:
bonds (distance) C4'-P energy: -46.395
bonds (distance) P-C4' energy: -54.311
flat angles C4'-P-C4' energy: -61.789
flat angles P-C4'-P energy: -40.024
tors. eta vs tors. theta energy: -78.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -903.332840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.332840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.332840 (E_RNA)
where:
Base-Base interactions energy: -624.369
where: short stacking energy: -264.761
Base-Backbone interact. energy: -0.642
local terms energy: -278.322278
where:
bonds (distance) C4'-P energy: -51.415
bonds (distance) P-C4' energy: -50.147
flat angles C4'-P-C4' energy: -57.924
flat angles P-C4'-P energy: -37.599
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: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -805.000001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.000001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.000001 (E_RNA)
where:
Base-Base interactions energy: -547.202
where: short stacking energy: -224.987
Base-Backbone interact. energy: -0.939
local terms energy: -256.858459
where:
bonds (distance) C4'-P energy: -54.237
bonds (distance) P-C4' energy: -52.273
flat angles C4'-P-C4' energy: -54.066
flat angles P-C4'-P energy: -35.180
tors. eta vs tors. theta energy: -61.102
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: 1
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -790.323217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.323217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.323217 (E_RNA)
where:
Base-Base interactions energy: -542.467
where: short stacking energy: -211.521
Base-Backbone interact. energy: -0.856
local terms energy: -246.999631
where:
bonds (distance) C4'-P energy: -47.102
bonds (distance) P-C4' energy: -52.978
flat angles C4'-P-C4' energy: -49.007
flat angles P-C4'-P energy: -34.672
tors. eta vs tors. theta energy: -63.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -731.208270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.208270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.208270 (E_RNA)
where:
Base-Base interactions energy: -492.573
where: short stacking energy: -217.049
Base-Backbone interact. energy: 0.072
local terms energy: -238.707983
where:
bonds (distance) C4'-P energy: -43.331
bonds (distance) P-C4' energy: -43.144
flat angles C4'-P-C4' energy: -52.007
flat angles P-C4'-P energy: -39.816
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: 7, replica: 6
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -703.414032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.414032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.414032 (E_RNA)
where:
Base-Base interactions energy: -489.326
where: short stacking energy: -214.385
Base-Backbone interact. energy: -0.780
local terms energy: -213.308504
where:
bonds (distance) C4'-P energy: -40.261
bonds (distance) P-C4' energy: -48.091
flat angles C4'-P-C4' energy: -49.428
flat angles P-C4'-P energy: -25.765
tors. eta vs tors. theta energy: -49.765
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: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -464.469218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.469218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.469218 (E_RNA)
where:
Base-Base interactions energy: -277.431
where: short stacking energy: -135.579
Base-Backbone interact. energy: 4.334
local terms energy: -191.372129
where:
bonds (distance) C4'-P energy: -49.370
bonds (distance) P-C4' energy: -50.469
flat angles C4'-P-C4' energy: -42.807
flat angles P-C4'-P energy: -36.546
tors. eta vs tors. theta energy: -12.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -250.758719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.758719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.758719 (E_RNA)
where:
Base-Base interactions energy: -87.454
where: short stacking energy: -66.171
Base-Backbone interact. energy: 1.233
local terms energy: -164.538205
where:
bonds (distance) C4'-P energy: -52.835
bonds (distance) P-C4' energy: -55.148
flat angles C4'-P-C4' energy: -33.687
flat angles P-C4'-P energy: -23.486
tors. eta vs tors. theta energy: 0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -235.691181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.691181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.691181 (E_RNA)
where:
Base-Base interactions energy: -85.013
where: short stacking energy: -56.234
Base-Backbone interact. energy: 0.315
local terms energy: -150.993320
where:
bonds (distance) C4'-P energy: -43.842
bonds (distance) P-C4' energy: -55.846
flat angles C4'-P-C4' energy: -34.375
flat angles P-C4'-P energy: -22.353
tors. eta vs tors. theta energy: 5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -941.390486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.390486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.390486 (E_RNA)
where:
Base-Base interactions energy: -645.205
where: short stacking energy: -235.560
Base-Backbone interact. energy: -0.870
local terms energy: -295.315779
where:
bonds (distance) C4'-P energy: -61.134
bonds (distance) P-C4' energy: -62.770
flat angles C4'-P-C4' energy: -55.278
flat angles P-C4'-P energy: -40.592
tors. eta vs tors. theta energy: -75.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -900.629582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.629582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.629582 (E_RNA)
where:
Base-Base interactions energy: -616.878
where: short stacking energy: -254.144
Base-Backbone interact. energy: 0.705
local terms energy: -284.456389
where:
bonds (distance) C4'-P energy: -50.609
bonds (distance) P-C4' energy: -58.457
flat angles C4'-P-C4' energy: -53.893
flat angles P-C4'-P energy: -44.542
tors. eta vs tors. theta energy: -76.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -832.924809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.924809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.924809 (E_RNA)
where:
Base-Base interactions energy: -556.866
where: short stacking energy: -235.203
Base-Backbone interact. energy: -0.992
local terms energy: -275.066746
where:
bonds (distance) C4'-P energy: -51.991
bonds (distance) P-C4' energy: -52.121
flat angles C4'-P-C4' energy: -61.608
flat angles P-C4'-P energy: -39.119
tors. eta vs tors. theta energy: -70.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -831.162469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.162469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.162469 (E_RNA)
where:
Base-Base interactions energy: -552.985
where: short stacking energy: -247.246
Base-Backbone interact. energy: 2.274
local terms energy: -280.452002
where:
bonds (distance) C4'-P energy: -49.985
bonds (distance) P-C4' energy: -58.098
flat angles C4'-P-C4' energy: -62.525
flat angles P-C4'-P energy: -38.734
tors. eta vs tors. theta energy: -71.110
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: 1
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -780.558974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.558974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.558974 (E_RNA)
where:
Base-Base interactions energy: -535.992
where: short stacking energy: -224.839
Base-Backbone interact. energy: -0.702
local terms energy: -243.864542
where:
bonds (distance) C4'-P energy: -43.050
bonds (distance) P-C4' energy: -51.860
flat angles C4'-P-C4' energy: -56.916
flat angles P-C4'-P energy: -39.647
tors. eta vs tors. theta energy: -52.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -716.667218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.667218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.667218 (E_RNA)
where:
Base-Base interactions energy: -476.267
where: short stacking energy: -197.637
Base-Backbone interact. energy: -0.251
local terms energy: -240.149143
where:
bonds (distance) C4'-P energy: -47.866
bonds (distance) P-C4' energy: -47.129
flat angles C4'-P-C4' energy: -53.238
flat angles P-C4'-P energy: -36.104
tors. eta vs tors. theta energy: -55.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -702.628121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.628121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.628121 (E_RNA)
where:
Base-Base interactions energy: -468.243
where: short stacking energy: -200.700
Base-Backbone interact. energy: 1.017
local terms energy: -235.402286
where:
bonds (distance) C4'-P energy: -46.352
bonds (distance) P-C4' energy: -47.884
flat angles C4'-P-C4' energy: -57.191
flat angles P-C4'-P energy: -27.465
tors. eta vs tors. theta energy: -56.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -457.918868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.918868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.918868 (E_RNA)
where:
Base-Base interactions energy: -296.773
where: short stacking energy: -149.999
Base-Backbone interact. energy: -0.371
local terms energy: -160.775053
where:
bonds (distance) C4'-P energy: -39.835
bonds (distance) P-C4' energy: -35.257
flat angles C4'-P-C4' energy: -34.438
flat angles P-C4'-P energy: -28.725
tors. eta vs tors. theta energy: -22.520
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: 93
Temperature: 1.300000
Total energy: -251.191412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.191412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.191412 (E_RNA)
where:
Base-Base interactions energy: -92.659
where: short stacking energy: -88.151
Base-Backbone interact. energy: -0.230
local terms energy: -158.303016
where:
bonds (distance) C4'-P energy: -37.013
bonds (distance) P-C4' energy: -54.245
flat angles C4'-P-C4' energy: -44.440
flat angles P-C4'-P energy: -20.109
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -211.701986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.701986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.701986 (E_RNA)
where:
Base-Base interactions energy: -68.816
where: short stacking energy: -67.665
Base-Backbone interact. energy: -0.160
local terms energy: -142.726286
where:
bonds (distance) C4'-P energy: -44.993
bonds (distance) P-C4' energy: -45.557
flat angles C4'-P-C4' energy: -27.408
flat angles P-C4'-P energy: -22.426
tors. eta vs tors. theta energy: -2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -929.939795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.939795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.939795 (E_RNA)
where:
Base-Base interactions energy: -648.221
where: short stacking energy: -241.124
Base-Backbone interact. energy: -0.249
local terms energy: -281.470141
where:
bonds (distance) C4'-P energy: -54.648
bonds (distance) P-C4' energy: -54.783
flat angles C4'-P-C4' energy: -57.131
flat angles P-C4'-P energy: -41.679
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: 2, replica: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -898.749642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.749642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.749642 (E_RNA)
where:
Base-Base interactions energy: -646.101
where: short stacking energy: -243.157
Base-Backbone interact. energy: -0.502
local terms energy: -252.146207
where:
bonds (distance) C4'-P energy: -44.036
bonds (distance) P-C4' energy: -51.738
flat angles C4'-P-C4' energy: -57.448
flat angles P-C4'-P energy: -36.434
tors. eta vs tors. theta energy: -62.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -840.299351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.299351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.299351 (E_RNA)
where:
Base-Base interactions energy: -563.932
where: short stacking energy: -251.093
Base-Backbone interact. energy: -2.968
local terms energy: -273.399199
where:
bonds (distance) C4'-P energy: -55.191
bonds (distance) P-C4' energy: -55.217
flat angles C4'-P-C4' energy: -55.904
flat angles P-C4'-P energy: -32.024
tors. eta vs tors. theta energy: -75.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -814.535281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.535281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.535281 (E_RNA)
where:
Base-Base interactions energy: -544.297
where: short stacking energy: -226.025
Base-Backbone interact. energy: -2.348
local terms energy: -267.890178
where:
bonds (distance) C4'-P energy: -49.346
bonds (distance) P-C4' energy: -52.068
flat angles C4'-P-C4' energy: -57.608
flat angles P-C4'-P energy: -45.465
tors. eta vs tors. theta energy: -63.404
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: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -752.452371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.452371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.452371 (E_RNA)
where:
Base-Base interactions energy: -510.096
where: short stacking energy: -208.014
Base-Backbone interact. energy: 0.897
local terms energy: -243.252665
where:
bonds (distance) C4'-P energy: -40.145
bonds (distance) P-C4' energy: -49.432
flat angles C4'-P-C4' energy: -57.153
flat angles P-C4'-P energy: -35.725
tors. eta vs tors. theta energy: -60.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -751.646583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.646583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.646583 (E_RNA)
where:
Base-Base interactions energy: -530.305
where: short stacking energy: -214.890
Base-Backbone interact. energy: -0.419
local terms energy: -220.922910
where:
bonds (distance) C4'-P energy: -41.495
bonds (distance) P-C4' energy: -32.908
flat angles C4'-P-C4' energy: -54.859
flat angles P-C4'-P energy: -33.302
tors. eta vs tors. theta energy: -58.358
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: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -698.057757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.057757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.057757 (E_RNA)
where:
Base-Base interactions energy: -462.155
where: short stacking energy: -191.791
Base-Backbone interact. energy: -1.616
local terms energy: -234.287148
where:
bonds (distance) C4'-P energy: -46.271
bonds (distance) P-C4' energy: -47.851
flat angles C4'-P-C4' energy: -50.060
flat angles P-C4'-P energy: -37.334
tors. eta vs tors. theta energy: -52.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -480.418007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.418007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.418007 (E_RNA)
where:
Base-Base interactions energy: -282.107
where: short stacking energy: -140.021
Base-Backbone interact. energy: -1.211
local terms energy: -197.100379
where:
bonds (distance) C4'-P energy: -40.583
bonds (distance) P-C4' energy: -50.820
flat angles C4'-P-C4' energy: -47.938
flat angles P-C4'-P energy: -34.233
tors. eta vs tors. theta energy: -23.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -258.460857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.460857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.460857 (E_RNA)
where:
Base-Base interactions energy: -100.662
where: short stacking energy: -93.277
Base-Backbone interact. energy: -0.239
local terms energy: -157.559217
where:
bonds (distance) C4'-P energy: -34.356
bonds (distance) P-C4' energy: -44.951
flat angles C4'-P-C4' energy: -43.078
flat angles P-C4'-P energy: -19.877
tors. eta vs tors. theta energy: -15.297
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: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -232.274270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.274270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.274270 (E_RNA)
where:
Base-Base interactions energy: -77.795
where: short stacking energy: -72.831
Base-Backbone interact. energy: 3.298
local terms energy: -157.776514
where:
bonds (distance) C4'-P energy: -32.513
bonds (distance) P-C4' energy: -54.630
flat angles C4'-P-C4' energy: -46.827
flat angles P-C4'-P energy: -20.012
tors. eta vs tors. theta energy: -3.794
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: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -916.692063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.692063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.692063 (E_RNA)
where:
Base-Base interactions energy: -634.120
where: short stacking energy: -253.388
Base-Backbone interact. energy: -2.259
local terms energy: -280.313222
where:
bonds (distance) C4'-P energy: -51.111
bonds (distance) P-C4' energy: -62.772
flat angles C4'-P-C4' energy: -57.389
flat angles P-C4'-P energy: -36.886
tors. eta vs tors. theta energy: -72.156
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: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -916.256740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.256740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.256740 (E_RNA)
where:
Base-Base interactions energy: -646.821
where: short stacking energy: -252.301
Base-Backbone interact. energy: 0.388
local terms energy: -269.823776
where:
bonds (distance) C4'-P energy: -50.072
bonds (distance) P-C4' energy: -55.151
flat angles C4'-P-C4' energy: -56.992
flat angles P-C4'-P energy: -32.239
tors. eta vs tors. theta energy: -75.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -825.024243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.024243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.024243 (E_RNA)
where:
Base-Base interactions energy: -558.277
where: short stacking energy: -246.195
Base-Backbone interact. energy: -1.349
local terms energy: -265.397741
where:
bonds (distance) C4'-P energy: -54.318
bonds (distance) P-C4' energy: -51.728
flat angles C4'-P-C4' energy: -59.209
flat angles P-C4'-P energy: -34.032
tors. eta vs tors. theta energy: -66.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -798.432236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.432236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.432236 (E_RNA)
where:
Base-Base interactions energy: -546.799
where: short stacking energy: -222.005
Base-Backbone interact. energy: -3.035
local terms energy: -248.598135
where:
bonds (distance) C4'-P energy: -46.401
bonds (distance) P-C4' energy: -42.777
flat angles C4'-P-C4' energy: -54.055
flat angles P-C4'-P energy: -36.071
tors. eta vs tors. theta energy: -69.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -769.556924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.556924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.556924 (E_RNA)
where:
Base-Base interactions energy: -535.409
where: short stacking energy: -227.587
Base-Backbone interact. energy: -2.009
local terms energy: -232.138721
where:
bonds (distance) C4'-P energy: -42.740
bonds (distance) P-C4' energy: -44.982
flat angles C4'-P-C4' energy: -49.955
flat angles P-C4'-P energy: -27.748
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: 6, replica: 1
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -775.616914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.616914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.616914 (E_RNA)
where:
Base-Base interactions energy: -549.207
where: short stacking energy: -223.794
Base-Backbone interact. energy: -1.100
local terms energy: -225.310001
where:
bonds (distance) C4'-P energy: -40.948
bonds (distance) P-C4' energy: -37.867
flat angles C4'-P-C4' energy: -55.672
flat angles P-C4'-P energy: -36.151
tors. eta vs tors. theta energy: -54.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -704.396751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.396751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.396751 (E_RNA)
where:
Base-Base interactions energy: -481.506
where: short stacking energy: -214.639
Base-Backbone interact. energy: -1.255
local terms energy: -221.635098
where:
bonds (distance) C4'-P energy: -45.536
bonds (distance) P-C4' energy: -43.457
flat angles C4'-P-C4' energy: -38.550
flat angles P-C4'-P energy: -34.894
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: 8, replica: 10
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -496.002156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.002156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.002156 (E_RNA)
where:
Base-Base interactions energy: -320.192
where: short stacking energy: -147.703
Base-Backbone interact. energy: 0.537
local terms energy: -176.347168
where:
bonds (distance) C4'-P energy: -38.641
bonds (distance) P-C4' energy: -45.545
flat angles C4'-P-C4' energy: -37.488
flat angles P-C4'-P energy: -31.215
tors. eta vs tors. theta energy: -23.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -307.256179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.256179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.256179 (E_RNA)
where:
Base-Base interactions energy: -149.491
where: short stacking energy: -85.100
Base-Backbone interact. energy: -1.546
local terms energy: -156.219228
where:
bonds (distance) C4'-P energy: -44.844
bonds (distance) P-C4' energy: -43.801
flat angles C4'-P-C4' energy: -37.335
flat angles P-C4'-P energy: -23.717
tors. eta vs tors. theta energy: -6.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -218.227444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.227444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.227444 (E_RNA)
where:
Base-Base interactions energy: -77.380
where: short stacking energy: -54.276
Base-Backbone interact. energy: -0.737
local terms energy: -140.110397
where:
bonds (distance) C4'-P energy: -41.611
bonds (distance) P-C4' energy: -44.706
flat angles C4'-P-C4' energy: -36.970
flat angles P-C4'-P energy: -27.314
tors. eta vs tors. theta energy: 10.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -948.322494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.322494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.322494 (E_RNA)
where:
Base-Base interactions energy: -651.914
where: short stacking energy: -246.975
Base-Backbone interact. energy: -2.060
local terms energy: -294.348727
where:
bonds (distance) C4'-P energy: -58.993
bonds (distance) P-C4' energy: -60.756
flat angles C4'-P-C4' energy: -58.670
flat angles P-C4'-P energy: -40.226
tors. eta vs tors. theta energy: -75.704
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: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -910.662565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.662565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.662565 (E_RNA)
where:
Base-Base interactions energy: -645.180
where: short stacking energy: -252.508
Base-Backbone interact. energy: 0.041
local terms energy: -265.523652
where:
bonds (distance) C4'-P energy: -49.829
bonds (distance) P-C4' energy: -52.665
flat angles C4'-P-C4' energy: -57.116
flat angles P-C4'-P energy: -35.057
tors. eta vs tors. theta energy: -70.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -821.125261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.125261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.125261 (E_RNA)
where:
Base-Base interactions energy: -550.712
where: short stacking energy: -227.375
Base-Backbone interact. energy: -2.089
local terms energy: -268.323680
where:
bonds (distance) C4'-P energy: -56.555
bonds (distance) P-C4' energy: -52.484
flat angles C4'-P-C4' energy: -54.014
flat angles P-C4'-P energy: -41.198
tors. eta vs tors. theta energy: -64.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -833.923872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.923872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.923872 (E_RNA)
where:
Base-Base interactions energy: -577.246
where: short stacking energy: -249.933
Base-Backbone interact. energy: -1.481
local terms energy: -255.196373
where:
bonds (distance) C4'-P energy: -49.405
bonds (distance) P-C4' energy: -48.081
flat angles C4'-P-C4' energy: -55.221
flat angles P-C4'-P energy: -30.132
tors. eta vs tors. theta energy: -72.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -770.029181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.029181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.029181 (E_RNA)
where:
Base-Base interactions energy: -526.953
where: short stacking energy: -204.278
Base-Backbone interact. energy: -2.769
local terms energy: -240.307727
where:
bonds (distance) C4'-P energy: -36.411
bonds (distance) P-C4' energy: -53.062
flat angles C4'-P-C4' energy: -56.247
flat angles P-C4'-P energy: -33.931
tors. eta vs tors. theta energy: -60.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -738.849598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.849598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.849598 (E_RNA)
where:
Base-Base interactions energy: -512.759
where: short stacking energy: -213.334
Base-Backbone interact. energy: -1.012
local terms energy: -225.078636
where:
bonds (distance) C4'-P energy: -36.452
bonds (distance) P-C4' energy: -45.922
flat angles C4'-P-C4' energy: -46.703
flat angles P-C4'-P energy: -39.405
tors. eta vs tors. theta energy: -56.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -667.780098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.780098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.780098 (E_RNA)
where:
Base-Base interactions energy: -444.395
where: short stacking energy: -189.167
Base-Backbone interact. energy: 0.459
local terms energy: -223.843373
where:
bonds (distance) C4'-P energy: -57.451
bonds (distance) P-C4' energy: -45.104
flat angles C4'-P-C4' energy: -49.565
flat angles P-C4'-P energy: -25.182
tors. eta vs tors. theta energy: -46.542
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: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -500.626831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.626831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.626831 (E_RNA)
where:
Base-Base interactions energy: -322.326
where: short stacking energy: -141.619
Base-Backbone interact. energy: -0.743
local terms energy: -177.557003
where:
bonds (distance) C4'-P energy: -45.321
bonds (distance) P-C4' energy: -43.138
flat angles C4'-P-C4' energy: -41.166
flat angles P-C4'-P energy: -27.288
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: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -302.123352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.123352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.123352 (E_RNA)
where:
Base-Base interactions energy: -141.070
where: short stacking energy: -100.771
Base-Backbone interact. energy: -0.885
local terms energy: -160.167727
where:
bonds (distance) C4'-P energy: -39.260
bonds (distance) P-C4' energy: -45.653
flat angles C4'-P-C4' energy: -41.712
flat angles P-C4'-P energy: -23.391
tors. eta vs tors. theta energy: -10.152
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: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -230.133009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.133009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.133009 (E_RNA)
where:
Base-Base interactions energy: -76.651
where: short stacking energy: -64.222
Base-Backbone interact. energy: -0.881
local terms energy: -152.600849
where:
bonds (distance) C4'-P energy: -47.815
bonds (distance) P-C4' energy: -44.045
flat angles C4'-P-C4' energy: -28.605
flat angles P-C4'-P energy: -22.874
tors. eta vs tors. theta energy: -9.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -946.993238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.993238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.993238 (E_RNA)
where:
Base-Base interactions energy: -659.933
where: short stacking energy: -263.817
Base-Backbone interact. energy: -2.487
local terms energy: -284.574056
where:
bonds (distance) C4'-P energy: -47.249
bonds (distance) P-C4' energy: -49.954
flat angles C4'-P-C4' energy: -64.728
flat angles P-C4'-P energy: -45.585
tors. eta vs tors. theta energy: -77.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -916.053110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.053110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.053110 (E_RNA)
where:
Base-Base interactions energy: -637.035
where: short stacking energy: -257.237
Base-Backbone interact. energy: -2.473
local terms energy: -276.545395
where:
bonds (distance) C4'-P energy: -45.228
bonds (distance) P-C4' energy: -53.044
flat angles C4'-P-C4' energy: -57.051
flat angles P-C4'-P energy: -44.425
tors. eta vs tors. theta energy: -76.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -829.484931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.484931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.484931 (E_RNA)
where:
Base-Base interactions energy: -563.398
where: short stacking energy: -247.842
Base-Backbone interact. energy: 0.014
local terms energy: -266.101108
where:
bonds (distance) C4'-P energy: -45.479
bonds (distance) P-C4' energy: -53.694
flat angles C4'-P-C4' energy: -53.867
flat angles P-C4'-P energy: -38.396
tors. eta vs tors. theta energy: -74.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -820.001485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.001485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.001485 (E_RNA)
where:
Base-Base interactions energy: -571.138
where: short stacking energy: -230.157
Base-Backbone interact. energy: -1.629
local terms energy: -247.234330
where:
bonds (distance) C4'-P energy: -43.912
bonds (distance) P-C4' energy: -39.915
flat angles C4'-P-C4' energy: -49.911
flat angles P-C4'-P energy: -46.437
tors. eta vs tors. theta energy: -67.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -810.348330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.348330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.348330 (E_RNA)
where:
Base-Base interactions energy: -558.142
where: short stacking energy: -242.083
Base-Backbone interact. energy: -2.620
local terms energy: -249.585878
where:
bonds (distance) C4'-P energy: -48.017
bonds (distance) P-C4' energy: -46.342
flat angles C4'-P-C4' energy: -54.925
flat angles P-C4'-P energy: -34.534
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: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -683.659990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.659990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.659990 (E_RNA)
where:
Base-Base interactions energy: -455.780
where: short stacking energy: -205.064
Base-Backbone interact. energy: -2.376
local terms energy: -225.504053
where:
bonds (distance) C4'-P energy: -50.217
bonds (distance) P-C4' energy: -33.379
flat angles C4'-P-C4' energy: -51.721
flat angles P-C4'-P energy: -32.780
tors. eta vs tors. theta energy: -57.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -666.542247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.542247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.542247 (E_RNA)
where:
Base-Base interactions energy: -432.571
where: short stacking energy: -177.058
Base-Backbone interact. energy: -1.650
local terms energy: -232.320945
where:
bonds (distance) C4'-P energy: -47.587
bonds (distance) P-C4' energy: -50.377
flat angles C4'-P-C4' energy: -56.701
flat angles P-C4'-P energy: -31.954
tors. eta vs tors. theta energy: -45.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -402.461982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.461982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.461982 (E_RNA)
where:
Base-Base interactions energy: -239.087
where: short stacking energy: -131.113
Base-Backbone interact. energy: -2.026
local terms energy: -161.348117
where:
bonds (distance) C4'-P energy: -41.211
bonds (distance) P-C4' energy: -39.568
flat angles C4'-P-C4' energy: -36.236
flat angles P-C4'-P energy: -31.557
tors. eta vs tors. theta energy: -12.776
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: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -270.169302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.169302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.169302 (E_RNA)
where:
Base-Base interactions energy: -117.044
where: short stacking energy: -74.550
Base-Backbone interact. energy: -1.017
local terms energy: -152.108788
where:
bonds (distance) C4'-P energy: -43.122
bonds (distance) P-C4' energy: -42.654
flat angles C4'-P-C4' energy: -40.682
flat angles P-C4'-P energy: -23.698
tors. eta vs tors. theta energy: -1.953
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: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -232.961932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.961932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.961932 (E_RNA)
where:
Base-Base interactions energy: -83.734
where: short stacking energy: -64.974
Base-Backbone interact. energy: 0.124
local terms energy: -149.352740
where:
bonds (distance) C4'-P energy: -45.903
bonds (distance) P-C4' energy: -49.704
flat angles C4'-P-C4' energy: -36.238
flat angles P-C4'-P energy: -21.244
tors. eta vs tors. theta energy: 3.736
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: 1, replica: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -943.316920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.316920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.316920 (E_RNA)
where:
Base-Base interactions energy: -658.963
where: short stacking energy: -265.112
Base-Backbone interact. energy: -4.030
local terms energy: -280.324221
where:
bonds (distance) C4'-P energy: -50.030
bonds (distance) P-C4' energy: -52.416
flat angles C4'-P-C4' energy: -63.085
flat angles P-C4'-P energy: -36.471
tors. eta vs tors. theta energy: -78.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -902.165555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.165555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.165555 (E_RNA)
where:
Base-Base interactions energy: -646.386
where: short stacking energy: -255.255
Base-Backbone interact. energy: -1.248
local terms energy: -254.531641
where:
bonds (distance) C4'-P energy: -55.921
bonds (distance) P-C4' energy: -48.924
flat angles C4'-P-C4' energy: -49.716
flat angles P-C4'-P energy: -36.509
tors. eta vs tors. theta energy: -63.462
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: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -835.270504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.270504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.270504 (E_RNA)
where:
Base-Base interactions energy: -571.558
where: short stacking energy: -248.860
Base-Backbone interact. energy: -1.496
local terms energy: -262.216029
where:
bonds (distance) C4'-P energy: -48.868
bonds (distance) P-C4' energy: -51.009
flat angles C4'-P-C4' energy: -55.063
flat angles P-C4'-P energy: -38.426
tors. eta vs tors. theta energy: -68.850
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: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -845.743438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.743438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.743438 (E_RNA)
where:
Base-Base interactions energy: -580.280
where: short stacking energy: -248.717
Base-Backbone interact. energy: -0.860
local terms energy: -264.603901
where:
bonds (distance) C4'-P energy: -45.117
bonds (distance) P-C4' energy: -50.132
flat angles C4'-P-C4' energy: -54.142
flat angles P-C4'-P energy: -36.697
tors. eta vs tors. theta energy: -78.516
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: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -815.004250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.004250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.004250 (E_RNA)
where:
Base-Base interactions energy: -567.515
where: short stacking energy: -225.869
Base-Backbone interact. energy: -0.790
local terms energy: -246.698598
where:
bonds (distance) C4'-P energy: -51.341
bonds (distance) P-C4' energy: -53.631
flat angles C4'-P-C4' energy: -48.193
flat angles P-C4'-P energy: -31.711
tors. eta vs tors. theta energy: -61.824
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: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -702.903549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.903549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.903549 (E_RNA)
where:
Base-Base interactions energy: -467.025
where: short stacking energy: -220.641
Base-Backbone interact. energy: -0.873
local terms energy: -235.005032
where:
bonds (distance) C4'-P energy: -54.430
bonds (distance) P-C4' energy: -45.460
flat angles C4'-P-C4' energy: -51.008
flat angles P-C4'-P energy: -26.784
tors. eta vs tors. theta energy: -57.323
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: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -713.736089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.736089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.736089 (E_RNA)
where:
Base-Base interactions energy: -481.741
where: short stacking energy: -206.957
Base-Backbone interact. energy: -0.277
local terms energy: -231.718164
where:
bonds (distance) C4'-P energy: -40.802
bonds (distance) P-C4' energy: -52.370
flat angles C4'-P-C4' energy: -51.087
flat angles P-C4'-P energy: -37.610
tors. eta vs tors. theta energy: -49.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -424.063293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.063293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.063293 (E_RNA)
where:
Base-Base interactions energy: -240.134
where: short stacking energy: -99.842
Base-Backbone interact. energy: -1.876
local terms energy: -182.053117
where:
bonds (distance) C4'-P energy: -36.378
bonds (distance) P-C4' energy: -51.432
flat angles C4'-P-C4' energy: -54.692
flat angles P-C4'-P energy: -29.172
tors. eta vs tors. theta energy: -10.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -266.006599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.006599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.006599 (E_RNA)
where:
Base-Base interactions energy: -100.314
where: short stacking energy: -97.743
Base-Backbone interact. energy: -0.260
local terms energy: -165.432980
where:
bonds (distance) C4'-P energy: -43.814
bonds (distance) P-C4' energy: -41.191
flat angles C4'-P-C4' energy: -40.171
flat angles P-C4'-P energy: -34.122
tors. eta vs tors. theta energy: -6.135
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: 98
Temperature: 1.350000
Total energy: -246.116178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.116178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.116178 (E_RNA)
where:
Base-Base interactions energy: -87.352
where: short stacking energy: -67.392
Base-Backbone interact. energy: -0.845
local terms energy: -157.918892
where:
bonds (distance) C4'-P energy: -49.379
bonds (distance) P-C4' energy: -52.804
flat angles C4'-P-C4' energy: -39.904
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -943.138386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.138386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.138386 (E_RNA)
where:
Base-Base interactions energy: -652.679
where: short stacking energy: -260.866
Base-Backbone interact. energy: -1.385
local terms energy: -289.074475
where:
bonds (distance) C4'-P energy: -60.725
bonds (distance) P-C4' energy: -57.463
flat angles C4'-P-C4' energy: -51.904
flat angles P-C4'-P energy: -39.182
tors. eta vs tors. theta energy: -79.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -901.097254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.097254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.097254 (E_RNA)
where:
Base-Base interactions energy: -634.715
where: short stacking energy: -251.949
Base-Backbone interact. energy: -0.491
local terms energy: -265.891521
where:
bonds (distance) C4'-P energy: -56.032
bonds (distance) P-C4' energy: -46.630
flat angles C4'-P-C4' energy: -54.054
flat angles P-C4'-P energy: -38.595
tors. eta vs tors. theta energy: -70.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -845.298389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.298389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.298389 (E_RNA)
where:
Base-Base interactions energy: -567.661
where: short stacking energy: -234.731
Base-Backbone interact. energy: -2.927
local terms energy: -274.710294
where:
bonds (distance) C4'-P energy: -51.474
bonds (distance) P-C4' energy: -50.534
flat angles C4'-P-C4' energy: -55.158
flat angles P-C4'-P energy: -44.260
tors. eta vs tors. theta energy: -73.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -843.973781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.973781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.973781 (E_RNA)
where:
Base-Base interactions energy: -588.910
where: short stacking energy: -252.922
Base-Backbone interact. energy: -0.919
local terms energy: -254.144406
where:
bonds (distance) C4'-P energy: -50.210
bonds (distance) P-C4' energy: -53.347
flat angles C4'-P-C4' energy: -52.918
flat angles P-C4'-P energy: -31.145
tors. eta vs tors. theta energy: -66.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -812.330936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.330936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.330936 (E_RNA)
where:
Base-Base interactions energy: -545.739
where: short stacking energy: -243.590
Base-Backbone interact. energy: -0.728
local terms energy: -265.863113
where:
bonds (distance) C4'-P energy: -47.495
bonds (distance) P-C4' energy: -47.194
flat angles C4'-P-C4' energy: -58.511
flat angles P-C4'-P energy: -39.250
tors. eta vs tors. theta energy: -73.413
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: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -738.300967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.300967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.300967 (E_RNA)
where:
Base-Base interactions energy: -510.477
where: short stacking energy: -217.656
Base-Backbone interact. energy: -0.434
local terms energy: -227.390699
where:
bonds (distance) C4'-P energy: -44.504
bonds (distance) P-C4' energy: -46.214
flat angles C4'-P-C4' energy: -44.857
flat angles P-C4'-P energy: -34.589
tors. eta vs tors. theta energy: -57.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -651.780171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.780171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.780171 (E_RNA)
where:
Base-Base interactions energy: -415.492
where: short stacking energy: -176.381
Base-Backbone interact. energy: 0.465
local terms energy: -236.752640
where:
bonds (distance) C4'-P energy: -49.372
bonds (distance) P-C4' energy: -53.012
flat angles C4'-P-C4' energy: -54.785
flat angles P-C4'-P energy: -34.221
tors. eta vs tors. theta energy: -45.362
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: 8, replica: 10
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -474.379571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.379571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.379571 (E_RNA)
where:
Base-Base interactions energy: -293.083
where: short stacking energy: -119.242
Base-Backbone interact. energy: -1.675
local terms energy: -179.621299
where:
bonds (distance) C4'-P energy: -35.831
bonds (distance) P-C4' energy: -49.966
flat angles C4'-P-C4' energy: -39.767
flat angles P-C4'-P energy: -38.067
tors. eta vs tors. theta energy: -15.991
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: 99
Temperature: 1.300000
Total energy: -293.901628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.901628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.901628 (E_RNA)
where:
Base-Base interactions energy: -136.667
where: short stacking energy: -87.014
Base-Backbone interact. energy: -0.310
local terms energy: -156.925281
where:
bonds (distance) C4'-P energy: -37.253
bonds (distance) P-C4' energy: -49.096
flat angles C4'-P-C4' energy: -32.236
flat angles P-C4'-P energy: -40.770
tors. eta vs tors. theta energy: 2.430
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: 99
Temperature: 1.350000
Total energy: -228.287887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.287887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.287887 (E_RNA)
where:
Base-Base interactions energy: -78.076
where: short stacking energy: -71.099
Base-Backbone interact. energy: -3.151
local terms energy: -147.060178
where:
bonds (distance) C4'-P energy: -35.621
bonds (distance) P-C4' energy: -41.205
flat angles C4'-P-C4' energy: -32.506
flat angles P-C4'-P energy: -35.170
tors. eta vs tors. theta energy: -2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -945.973597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.973597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.973597 (E_RNA)
where:
Base-Base interactions energy: -672.110
where: short stacking energy: -259.302
Base-Backbone interact. energy: -1.264
local terms energy: -272.599816
where:
bonds (distance) C4'-P energy: -49.004
bonds (distance) P-C4' energy: -53.807
flat angles C4'-P-C4' energy: -56.795
flat angles P-C4'-P energy: -35.039
tors. eta vs tors. theta energy: -77.954
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: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -896.635236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.635236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.635236 (E_RNA)
where:
Base-Base interactions energy: -645.351
where: short stacking energy: -240.419
Base-Backbone interact. energy: -1.330
local terms energy: -249.954140
where:
bonds (distance) C4'-P energy: -46.818
bonds (distance) P-C4' energy: -46.813
flat angles C4'-P-C4' energy: -59.000
flat angles P-C4'-P energy: -30.687
tors. eta vs tors. theta energy: -66.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -869.919407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.919407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.919407 (E_RNA)
where:
Base-Base interactions energy: -609.283
where: short stacking energy: -265.851
Base-Backbone interact. energy: 0.515
local terms energy: -261.151711
where:
bonds (distance) C4'-P energy: -50.379
bonds (distance) P-C4' energy: -50.640
flat angles C4'-P-C4' energy: -49.469
flat angles P-C4'-P energy: -39.246
tors. eta vs tors. theta energy: -71.418
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: 1
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -838.398474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.398474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.398474 (E_RNA)
where:
Base-Base interactions energy: -584.410
where: short stacking energy: -231.713
Base-Backbone interact. energy: -1.141
local terms energy: -252.847966
where:
bonds (distance) C4'-P energy: -40.459
bonds (distance) P-C4' energy: -42.310
flat angles C4'-P-C4' energy: -57.193
flat angles P-C4'-P energy: -36.920
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: 5, replica: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -837.434505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.434505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.434505 (E_RNA)
where:
Base-Base interactions energy: -575.106
where: short stacking energy: -249.220
Base-Backbone interact. energy: -2.353
local terms energy: -259.975369
where:
bonds (distance) C4'-P energy: -44.922
bonds (distance) P-C4' energy: -50.434
flat angles C4'-P-C4' energy: -58.722
flat angles P-C4'-P energy: -33.525
tors. eta vs tors. theta energy: -72.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -747.400482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.400482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.400482 (E_RNA)
where:
Base-Base interactions energy: -521.849
where: short stacking energy: -211.763
Base-Backbone interact. energy: -0.795
local terms energy: -224.756767
where:
bonds (distance) C4'-P energy: -37.856
bonds (distance) P-C4' energy: -51.084
flat angles C4'-P-C4' energy: -43.071
flat angles P-C4'-P energy: -34.706
tors. eta vs tors. theta energy: -58.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -673.872775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.872775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.872775 (E_RNA)
where:
Base-Base interactions energy: -440.215
where: short stacking energy: -195.380
Base-Backbone interact. energy: 0.269
local terms energy: -233.927337
where:
bonds (distance) C4'-P energy: -44.147
bonds (distance) P-C4' energy: -43.785
flat angles C4'-P-C4' energy: -55.002
flat angles P-C4'-P energy: -35.693
tors. eta vs tors. theta energy: -55.301
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: 10
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -498.901136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.901136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.901136 (E_RNA)
where:
Base-Base interactions energy: -309.283
where: short stacking energy: -148.774
Base-Backbone interact. energy: -1.440
local terms energy: -188.179077
where:
bonds (distance) C4'-P energy: -41.928
bonds (distance) P-C4' energy: -45.799
flat angles C4'-P-C4' energy: -46.909
flat angles P-C4'-P energy: -29.105
tors. eta vs tors. theta energy: -24.438
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: 100
Temperature: 1.300000
Total energy: -290.420220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.420220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.420220 (E_RNA)
where:
Base-Base interactions energy: -143.206
where: short stacking energy: -85.814
Base-Backbone interact. energy: 2.146
local terms energy: -149.360637
where:
bonds (distance) C4'-P energy: -41.179
bonds (distance) P-C4' energy: -58.582
flat angles C4'-P-C4' energy: -35.675
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: 0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -222.810347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.810347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.810347 (E_RNA)
where:
Base-Base interactions energy: -72.513
where: short stacking energy: -52.951
Base-Backbone interact. energy: 0.197
local terms energy: -150.494369
where:
bonds (distance) C4'-P energy: -41.760
bonds (distance) P-C4' energy: -45.931
flat angles C4'-P-C4' energy: -46.528
flat angles P-C4'-P energy: -27.059
tors. eta vs tors. theta energy: 10.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -943.035811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.035811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.035811 (E_RNA)
where:
Base-Base interactions energy: -665.847
where: short stacking energy: -252.749
Base-Backbone interact. energy: -0.974
local terms energy: -276.214992
where:
bonds (distance) C4'-P energy: -46.809
bonds (distance) P-C4' energy: -54.790
flat angles C4'-P-C4' energy: -54.168
flat angles P-C4'-P energy: -45.144
tors. eta vs tors. theta energy: -75.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -912.581849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.581849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.581849 (E_RNA)
where:
Base-Base interactions energy: -638.454
where: short stacking energy: -259.208
Base-Backbone interact. energy: -0.989
local terms energy: -273.138878
where:
bonds (distance) C4'-P energy: -51.673
bonds (distance) P-C4' energy: -47.504
flat angles C4'-P-C4' energy: -62.543
flat angles P-C4'-P energy: -38.956
tors. eta vs tors. theta energy: -72.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -860.971520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.971520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.971520 (E_RNA)
where:
Base-Base interactions energy: -602.513
where: short stacking energy: -249.285
Base-Backbone interact. energy: -1.183
local terms energy: -257.275985
where:
bonds (distance) C4'-P energy: -43.288
bonds (distance) P-C4' energy: -50.651
flat angles C4'-P-C4' energy: -58.550
flat angles P-C4'-P energy: -32.681
tors. eta vs tors. theta energy: -72.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -867.588974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.588974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.588974 (E_RNA)
where:
Base-Base interactions energy: -609.398
where: short stacking energy: -251.907
Base-Backbone interact. energy: -0.336
local terms energy: -257.854730
where:
bonds (distance) C4'-P energy: -47.150
bonds (distance) P-C4' energy: -43.568
flat angles C4'-P-C4' energy: -51.211
flat angles P-C4'-P energy: -38.913
tors. eta vs tors. theta energy: -77.013
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: 7
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -820.284685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.284685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.284685 (E_RNA)
where:
Base-Base interactions energy: -565.845
where: short stacking energy: -252.862
Base-Backbone interact. energy: -1.565
local terms energy: -252.874432
where:
bonds (distance) C4'-P energy: -55.046
bonds (distance) P-C4' energy: -40.787
flat angles C4'-P-C4' energy: -57.691
flat angles P-C4'-P energy: -31.055
tors. eta vs tors. theta energy: -68.296
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: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -747.697211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.697211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.697211 (E_RNA)
where:
Base-Base interactions energy: -507.209
where: short stacking energy: -204.887
Base-Backbone interact. energy: -2.092
local terms energy: -238.396153
where:
bonds (distance) C4'-P energy: -48.490
bonds (distance) P-C4' energy: -47.690
flat angles C4'-P-C4' energy: -47.202
flat angles P-C4'-P energy: -36.378
tors. eta vs tors. theta energy: -58.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -665.846878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.846878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.846878 (E_RNA)
where:
Base-Base interactions energy: -451.899
where: short stacking energy: -189.660
Base-Backbone interact. energy: 0.483
local terms energy: -214.431355
where:
bonds (distance) C4'-P energy: -35.083
bonds (distance) P-C4' energy: -41.739
flat angles C4'-P-C4' energy: -53.730
flat angles P-C4'-P energy: -30.445
tors. eta vs tors. theta energy: -53.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -512.638167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.638167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.638167 (E_RNA)
where:
Base-Base interactions energy: -321.456
where: short stacking energy: -166.717
Base-Backbone interact. energy: 0.231
local terms energy: -191.414057
where:
bonds (distance) C4'-P energy: -40.121
bonds (distance) P-C4' energy: -53.321
flat angles C4'-P-C4' energy: -42.990
flat angles P-C4'-P energy: -30.986
tors. eta vs tors. theta energy: -23.997
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: 101
Temperature: 1.300000
Total energy: -267.257820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.257820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.257820 (E_RNA)
where:
Base-Base interactions energy: -106.423
where: short stacking energy: -79.385
Base-Backbone interact. energy: 1.635
local terms energy: -162.469649
where:
bonds (distance) C4'-P energy: -35.205
bonds (distance) P-C4' energy: -45.490
flat angles C4'-P-C4' energy: -47.644
flat angles P-C4'-P energy: -22.424
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -215.189075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.189075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.189075 (E_RNA)
where:
Base-Base interactions energy: -66.918
where: short stacking energy: -60.899
Base-Backbone interact. energy: 0.072
local terms energy: -148.343759
where:
bonds (distance) C4'-P energy: -37.183
bonds (distance) P-C4' energy: -49.023
flat angles C4'-P-C4' energy: -44.658
flat angles P-C4'-P energy: -20.895
tors. eta vs tors. theta energy: 3.415
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: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -911.512151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.512151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.512151 (E_RNA)
where:
Base-Base interactions energy: -642.998
where: short stacking energy: -231.739
Base-Backbone interact. energy: -2.697
local terms energy: -265.817502
where:
bonds (distance) C4'-P energy: -49.046
bonds (distance) P-C4' energy: -48.153
flat angles C4'-P-C4' energy: -60.317
flat angles P-C4'-P energy: -36.057
tors. eta vs tors. theta energy: -72.245
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: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -910.826982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.826982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.826982 (E_RNA)
where:
Base-Base interactions energy: -629.198
where: short stacking energy: -248.497
Base-Backbone interact. energy: -0.313
local terms energy: -281.316130
where:
bonds (distance) C4'-P energy: -59.050
bonds (distance) P-C4' energy: -58.172
flat angles C4'-P-C4' energy: -53.965
flat angles P-C4'-P energy: -35.642
tors. eta vs tors. theta energy: -74.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -868.420641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.420641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.420641 (E_RNA)
where:
Base-Base interactions energy: -599.979
where: short stacking energy: -249.265
Base-Backbone interact. energy: -0.293
local terms energy: -268.148119
where:
bonds (distance) C4'-P energy: -53.260
bonds (distance) P-C4' energy: -50.743
flat angles C4'-P-C4' energy: -51.555
flat angles P-C4'-P energy: -37.163
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: 1
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -863.037449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.037449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.037449 (E_RNA)
where:
Base-Base interactions energy: -596.611
where: short stacking energy: -251.494
Base-Backbone interact. energy: 0.677
local terms energy: -267.103079
where:
bonds (distance) C4'-P energy: -56.969
bonds (distance) P-C4' energy: -51.224
flat angles C4'-P-C4' energy: -53.565
flat angles P-C4'-P energy: -30.824
tors. eta vs tors. theta energy: -74.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -794.693689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.693689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.693689 (E_RNA)
where:
Base-Base interactions energy: -560.234
where: short stacking energy: -224.007
Base-Backbone interact. energy: -1.390
local terms energy: -233.070179
where:
bonds (distance) C4'-P energy: -45.806
bonds (distance) P-C4' energy: -31.899
flat angles C4'-P-C4' energy: -61.872
flat angles P-C4'-P energy: -28.119
tors. eta vs tors. theta energy: -65.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -759.441579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.441579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.441579 (E_RNA)
where:
Base-Base interactions energy: -508.428
where: short stacking energy: -216.018
Base-Backbone interact. energy: -1.446
local terms energy: -249.567573
where:
bonds (distance) C4'-P energy: -52.559
bonds (distance) P-C4' energy: -45.658
flat angles C4'-P-C4' energy: -53.871
flat angles P-C4'-P energy: -36.058
tors. eta vs tors. theta energy: -61.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -704.554365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.554365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.554365 (E_RNA)
where:
Base-Base interactions energy: -469.020
where: short stacking energy: -179.635
Base-Backbone interact. energy: -0.816
local terms energy: -234.718829
where:
bonds (distance) C4'-P energy: -48.324
bonds (distance) P-C4' energy: -42.960
flat angles C4'-P-C4' energy: -54.839
flat angles P-C4'-P energy: -32.376
tors. eta vs tors. theta energy: -56.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -460.364677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.364677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.364677 (E_RNA)
where:
Base-Base interactions energy: -269.840
where: short stacking energy: -125.648
Base-Backbone interact. energy: 0.147
local terms energy: -190.672193
where:
bonds (distance) C4'-P energy: -38.466
bonds (distance) P-C4' energy: -56.146
flat angles C4'-P-C4' energy: -41.996
flat angles P-C4'-P energy: -33.159
tors. eta vs tors. theta energy: -20.906
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: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -248.136849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.136849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.136849 (E_RNA)
where:
Base-Base interactions energy: -92.668
where: short stacking energy: -81.192
Base-Backbone interact. energy: -0.080
local terms energy: -155.389010
where:
bonds (distance) C4'-P energy: -43.977
bonds (distance) P-C4' energy: -52.021
flat angles C4'-P-C4' energy: -34.322
flat angles P-C4'-P energy: -24.259
tors. eta vs tors. theta energy: -0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -231.244444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.244444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.244444 (E_RNA)
where:
Base-Base interactions energy: -73.006
where: short stacking energy: -65.460
Base-Backbone interact. energy: -0.846
local terms energy: -157.392934
where:
bonds (distance) C4'-P energy: -40.396
bonds (distance) P-C4' energy: -48.310
flat angles C4'-P-C4' energy: -38.820
flat angles P-C4'-P energy: -28.410
tors. eta vs tors. theta energy: -1.457
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: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -924.135638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.135638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.135638 (E_RNA)
where:
Base-Base interactions energy: -663.524
where: short stacking energy: -245.986
Base-Backbone interact. energy: -2.910
local terms energy: -257.701867
where:
bonds (distance) C4'-P energy: -40.474
bonds (distance) P-C4' energy: -51.336
flat angles C4'-P-C4' energy: -57.549
flat angles P-C4'-P energy: -39.687
tors. eta vs tors. theta energy: -68.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -897.464357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.464357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.464357 (E_RNA)
where:
Base-Base interactions energy: -614.885
where: short stacking energy: -264.240
Base-Backbone interact. energy: -1.412
local terms energy: -281.166807
where:
bonds (distance) C4'-P energy: -53.001
bonds (distance) P-C4' energy: -49.393
flat angles C4'-P-C4' energy: -60.251
flat angles P-C4'-P energy: -43.228
tors. eta vs tors. theta energy: -75.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -887.808055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.808055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.808055 (E_RNA)
where:
Base-Base interactions energy: -608.528
where: short stacking energy: -250.249
Base-Backbone interact. energy: -1.962
local terms energy: -277.318225
where:
bonds (distance) C4'-P energy: -54.499
bonds (distance) P-C4' energy: -49.594
flat angles C4'-P-C4' energy: -58.663
flat angles P-C4'-P energy: -42.926
tors. eta vs tors. theta energy: -71.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -852.316127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.316127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.316127 (E_RNA)
where:
Base-Base interactions energy: -600.716
where: short stacking energy: -250.659
Base-Backbone interact. energy: -1.538
local terms energy: -250.062326
where:
bonds (distance) C4'-P energy: -45.752
bonds (distance) P-C4' energy: -49.434
flat angles C4'-P-C4' energy: -52.739
flat angles P-C4'-P energy: -33.999
tors. eta vs tors. theta energy: -68.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -787.167204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.167204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.167204 (E_RNA)
where:
Base-Base interactions energy: -547.554
where: short stacking energy: -226.190
Base-Backbone interact. energy: 2.350
local terms energy: -241.962515
where:
bonds (distance) C4'-P energy: -52.810
bonds (distance) P-C4' energy: -48.692
flat angles C4'-P-C4' energy: -50.006
flat angles P-C4'-P energy: -30.394
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: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -757.188325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.188325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.188325 (E_RNA)
where:
Base-Base interactions energy: -511.037
where: short stacking energy: -203.219
Base-Backbone interact. energy: -0.836
local terms energy: -245.315556
where:
bonds (distance) C4'-P energy: -47.246
bonds (distance) P-C4' energy: -51.161
flat angles C4'-P-C4' energy: -59.545
flat angles P-C4'-P energy: -32.964
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: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -721.737905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.737905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.737905 (E_RNA)
where:
Base-Base interactions energy: -504.658
where: short stacking energy: -222.181
Base-Backbone interact. energy: -0.634
local terms energy: -216.445660
where:
bonds (distance) C4'-P energy: -43.403
bonds (distance) P-C4' energy: -29.954
flat angles C4'-P-C4' energy: -44.000
flat angles P-C4'-P energy: -33.192
tors. eta vs tors. theta energy: -65.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -483.997858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.997858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.997858 (E_RNA)
where:
Base-Base interactions energy: -289.979
where: short stacking energy: -136.826
Base-Backbone interact. energy: -1.412
local terms energy: -192.606752
where:
bonds (distance) C4'-P energy: -48.637
bonds (distance) P-C4' energy: -56.171
flat angles C4'-P-C4' energy: -31.796
flat angles P-C4'-P energy: -29.687
tors. eta vs tors. theta energy: -26.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -237.619562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.619562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.619562 (E_RNA)
where:
Base-Base interactions energy: -88.093
where: short stacking energy: -68.226
Base-Backbone interact. energy: 2.216
local terms energy: -151.742690
where:
bonds (distance) C4'-P energy: -43.583
bonds (distance) P-C4' energy: -44.736
flat angles C4'-P-C4' energy: -46.378
flat angles P-C4'-P energy: -31.839
tors. eta vs tors. theta energy: 14.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -240.677208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.677208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.677208 (E_RNA)
where:
Base-Base interactions energy: -101.326
where: short stacking energy: -81.496
Base-Backbone interact. energy: 3.153
local terms energy: -142.504279
where:
bonds (distance) C4'-P energy: -38.523
bonds (distance) P-C4' energy: -43.226
flat angles C4'-P-C4' energy: -37.932
flat angles P-C4'-P energy: -23.722
tors. eta vs tors. theta energy: 0.898
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: 2
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -936.291981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.291981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.291981 (E_RNA)
where:
Base-Base interactions energy: -656.803
where: short stacking energy: -250.667
Base-Backbone interact. energy: -2.123
local terms energy: -277.365699
where:
bonds (distance) C4'-P energy: -60.838
bonds (distance) P-C4' energy: -52.157
flat angles C4'-P-C4' energy: -58.347
flat angles P-C4'-P energy: -37.446
tors. eta vs tors. theta energy: -68.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -878.469315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.469315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.469315 (E_RNA)
where:
Base-Base interactions energy: -606.873
where: short stacking energy: -241.747
Base-Backbone interact. energy: -1.699
local terms energy: -269.897812
where:
bonds (distance) C4'-P energy: -41.578
bonds (distance) P-C4' energy: -58.184
flat angles C4'-P-C4' energy: -56.156
flat angles P-C4'-P energy: -47.894
tors. eta vs tors. theta energy: -66.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -882.526257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.526257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.526257 (E_RNA)
where:
Base-Base interactions energy: -623.352
where: short stacking energy: -261.712
Base-Backbone interact. energy: -1.781
local terms energy: -257.393363
where:
bonds (distance) C4'-P energy: -46.047
bonds (distance) P-C4' energy: -50.073
flat angles C4'-P-C4' energy: -52.072
flat angles P-C4'-P energy: -37.317
tors. eta vs tors. theta energy: -71.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -868.468056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.468056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.468056 (E_RNA)
where:
Base-Base interactions energy: -611.685
where: short stacking energy: -228.817
Base-Backbone interact. energy: 1.931
local terms energy: -258.713752
where:
bonds (distance) C4'-P energy: -50.807
bonds (distance) P-C4' energy: -51.703
flat angles C4'-P-C4' energy: -54.803
flat angles P-C4'-P energy: -33.489
tors. eta vs tors. theta energy: -67.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -820.152106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.152106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.152106 (E_RNA)
where:
Base-Base interactions energy: -544.471
where: short stacking energy: -225.727
Base-Backbone interact. energy: -0.087
local terms energy: -275.594155
where:
bonds (distance) C4'-P energy: -55.264
bonds (distance) P-C4' energy: -54.908
flat angles C4'-P-C4' energy: -57.656
flat angles P-C4'-P energy: -38.969
tors. eta vs tors. theta energy: -68.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -752.437401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.437401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.437401 (E_RNA)
where:
Base-Base interactions energy: -514.034
where: short stacking energy: -216.307
Base-Backbone interact. energy: -1.434
local terms energy: -236.970049
where:
bonds (distance) C4'-P energy: -47.660
bonds (distance) P-C4' energy: -51.481
flat angles C4'-P-C4' energy: -53.981
flat angles P-C4'-P energy: -23.810
tors. eta vs tors. theta energy: -60.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -714.223670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.223670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.223670 (E_RNA)
where:
Base-Base interactions energy: -481.950
where: short stacking energy: -207.510
Base-Backbone interact. energy: 3.881
local terms energy: -236.154698
where:
bonds (distance) C4'-P energy: -40.329
bonds (distance) P-C4' energy: -46.595
flat angles C4'-P-C4' energy: -54.712
flat angles P-C4'-P energy: -31.960
tors. eta vs tors. theta energy: -62.559
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: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -482.734304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.734304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.734304 (E_RNA)
where:
Base-Base interactions energy: -297.085
where: short stacking energy: -137.711
Base-Backbone interact. energy: -0.287
local terms energy: -185.362654
where:
bonds (distance) C4'-P energy: -39.916
bonds (distance) P-C4' energy: -47.853
flat angles C4'-P-C4' energy: -52.489
flat angles P-C4'-P energy: -23.933
tors. eta vs tors. theta energy: -21.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -242.351252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.351252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.351252 (E_RNA)
where:
Base-Base interactions energy: -86.390
where: short stacking energy: -76.421
Base-Backbone interact. energy: -0.626
local terms energy: -155.335186
where:
bonds (distance) C4'-P energy: -45.249
bonds (distance) P-C4' energy: -59.078
flat angles C4'-P-C4' energy: -40.418
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: 3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -250.024478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.024478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.024478 (E_RNA)
where:
Base-Base interactions energy: -99.733
where: short stacking energy: -52.912
Base-Backbone interact. energy: -1.363
local terms energy: -148.928872
where:
bonds (distance) C4'-P energy: -43.458
bonds (distance) P-C4' energy: -42.710
flat angles C4'-P-C4' energy: -44.976
flat angles P-C4'-P energy: -20.187
tors. eta vs tors. theta energy: 2.401
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: 2
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -956.412519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.412519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.412519 (E_RNA)
where:
Base-Base interactions energy: -678.579
where: short stacking energy: -254.792
Base-Backbone interact. energy: -1.873
local terms energy: -275.960119
where:
bonds (distance) C4'-P energy: -52.518
bonds (distance) P-C4' energy: -47.974
flat angles C4'-P-C4' energy: -64.426
flat angles P-C4'-P energy: -42.734
tors. eta vs tors. theta energy: -68.308
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: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -896.206398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.206398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.206398 (E_RNA)
where:
Base-Base interactions energy: -621.463
where: short stacking energy: -258.621
Base-Backbone interact. energy: -0.570
local terms energy: -274.173022
where:
bonds (distance) C4'-P energy: -48.750
bonds (distance) P-C4' energy: -55.356
flat angles C4'-P-C4' energy: -59.643
flat angles P-C4'-P energy: -36.376
tors. eta vs tors. theta energy: -74.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -853.657934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.657934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.657934 (E_RNA)
where:
Base-Base interactions energy: -597.559
where: short stacking energy: -226.853
Base-Backbone interact. energy: -1.544
local terms energy: -254.554620
where:
bonds (distance) C4'-P energy: -47.725
bonds (distance) P-C4' energy: -47.404
flat angles C4'-P-C4' energy: -59.242
flat angles P-C4'-P energy: -40.761
tors. eta vs tors. theta energy: -59.422
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: 4, replica: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -880.233383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.233383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.233383 (E_RNA)
where:
Base-Base interactions energy: -638.630
where: short stacking energy: -237.865
Base-Backbone interact. energy: 0.014
local terms energy: -241.617284
where:
bonds (distance) C4'-P energy: -44.082
bonds (distance) P-C4' energy: -40.222
flat angles C4'-P-C4' energy: -51.452
flat angles P-C4'-P energy: -43.007
tors. eta vs tors. theta energy: -62.853
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: 7
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -806.372166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.372166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.372166 (E_RNA)
where:
Base-Base interactions energy: -536.497
where: short stacking energy: -243.796
Base-Backbone interact. energy: -1.136
local terms energy: -268.738890
where:
bonds (distance) C4'-P energy: -50.694
bonds (distance) P-C4' energy: -53.078
flat angles C4'-P-C4' energy: -59.857
flat angles P-C4'-P energy: -27.257
tors. eta vs tors. theta energy: -77.854
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: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -736.599667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.599667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.599667 (E_RNA)
where:
Base-Base interactions energy: -518.623
where: short stacking energy: -207.427
Base-Backbone interact. energy: 2.762
local terms energy: -220.739009
where:
bonds (distance) C4'-P energy: -40.949
bonds (distance) P-C4' energy: -39.981
flat angles C4'-P-C4' energy: -52.346
flat angles P-C4'-P energy: -36.597
tors. eta vs tors. theta energy: -50.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -715.172042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.172042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.172042 (E_RNA)
where:
Base-Base interactions energy: -485.327
where: short stacking energy: -192.979
Base-Backbone interact. energy: 0.649
local terms energy: -230.494756
where:
bonds (distance) C4'-P energy: -53.305
bonds (distance) P-C4' energy: -41.306
flat angles C4'-P-C4' energy: -52.017
flat angles P-C4'-P energy: -32.403
tors. eta vs tors. theta energy: -51.463
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: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -483.217798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.217798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.217798 (E_RNA)
where:
Base-Base interactions energy: -303.623
where: short stacking energy: -153.377
Base-Backbone interact. energy: 5.857
local terms energy: -185.452248
where:
bonds (distance) C4'-P energy: -35.520
bonds (distance) P-C4' energy: -56.070
flat angles C4'-P-C4' energy: -46.319
flat angles P-C4'-P energy: -22.181
tors. eta vs tors. theta energy: -25.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -246.112321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.112321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.112321 (E_RNA)
where:
Base-Base interactions energy: -82.751
where: short stacking energy: -70.824
Base-Backbone interact. energy: 0.694
local terms energy: -164.054453
where:
bonds (distance) C4'-P energy: -53.210
bonds (distance) P-C4' energy: -43.978
flat angles C4'-P-C4' energy: -44.164
flat angles P-C4'-P energy: -28.045
tors. eta vs tors. theta energy: 5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -231.878723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.878723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.878723 (E_RNA)
where:
Base-Base interactions energy: -71.998
where: short stacking energy: -56.029
Base-Backbone interact. energy: -2.095
local terms energy: -157.785609
where:
bonds (distance) C4'-P energy: -49.528
bonds (distance) P-C4' energy: -53.042
flat angles C4'-P-C4' energy: -39.368
flat angles P-C4'-P energy: -29.273
tors. eta vs tors. theta energy: 13.426
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: 2
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -948.522947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.522947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.522947 (E_RNA)
where:
Base-Base interactions energy: -668.190
where: short stacking energy: -259.461
Base-Backbone interact. energy: -0.694
local terms energy: -279.638334
where:
bonds (distance) C4'-P energy: -55.054
bonds (distance) P-C4' energy: -53.801
flat angles C4'-P-C4' energy: -54.312
flat angles P-C4'-P energy: -42.457
tors. eta vs tors. theta energy: -74.014
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: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -887.585144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.585144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.585144 (E_RNA)
where:
Base-Base interactions energy: -631.820
where: short stacking energy: -258.901
Base-Backbone interact. energy: -1.985
local terms energy: -253.779462
where:
bonds (distance) C4'-P energy: -46.707
bonds (distance) P-C4' energy: -48.758
flat angles C4'-P-C4' energy: -55.867
flat angles P-C4'-P energy: -36.428
tors. eta vs tors. theta energy: -66.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -888.882662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.882662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.882662 (E_RNA)
where:
Base-Base interactions energy: -640.526
where: short stacking energy: -241.800
Base-Backbone interact. energy: -2.517
local terms energy: -245.839591
where:
bonds (distance) C4'-P energy: -44.305
bonds (distance) P-C4' energy: -49.456
flat angles C4'-P-C4' energy: -59.159
flat angles P-C4'-P energy: -30.548
tors. eta vs tors. theta energy: -62.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -873.871761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.871761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.871761 (E_RNA)
where:
Base-Base interactions energy: -608.175
where: short stacking energy: -267.919
Base-Backbone interact. energy: -1.996
local terms energy: -263.700780
where:
bonds (distance) C4'-P energy: -47.847
bonds (distance) P-C4' energy: -47.346
flat angles C4'-P-C4' energy: -62.543
flat angles P-C4'-P energy: -38.700
tors. eta vs tors. theta energy: -67.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -758.187470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.187470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.187470 (E_RNA)
where:
Base-Base interactions energy: -505.700
where: short stacking energy: -218.200
Base-Backbone interact. energy: 3.546
local terms energy: -256.033694
where:
bonds (distance) C4'-P energy: -45.774
bonds (distance) P-C4' energy: -56.848
flat angles C4'-P-C4' energy: -47.223
flat angles P-C4'-P energy: -38.818
tors. eta vs tors. theta energy: -67.371
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: 7
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -761.668536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.668536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.668536 (E_RNA)
where:
Base-Base interactions energy: -515.938
where: short stacking energy: -212.692
Base-Backbone interact. energy: -1.802
local terms energy: -243.928197
where:
bonds (distance) C4'-P energy: -44.169
bonds (distance) P-C4' energy: -52.262
flat angles C4'-P-C4' energy: -57.174
flat angles P-C4'-P energy: -30.430
tors. eta vs tors. theta energy: -59.893
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: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -706.209701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.209701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.209701 (E_RNA)
where:
Base-Base interactions energy: -471.099
where: short stacking energy: -195.547
Base-Backbone interact. energy: -0.651
local terms energy: -234.459987
where:
bonds (distance) C4'-P energy: -43.177
bonds (distance) P-C4' energy: -55.947
flat angles C4'-P-C4' energy: -46.273
flat angles P-C4'-P energy: -27.830
tors. eta vs tors. theta energy: -61.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -487.237886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.237886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.237886 (E_RNA)
where:
Base-Base interactions energy: -306.916
where: short stacking energy: -156.241
Base-Backbone interact. energy: -1.079
local terms energy: -179.243503
where:
bonds (distance) C4'-P energy: -39.193
bonds (distance) P-C4' energy: -40.754
flat angles C4'-P-C4' energy: -43.719
flat angles P-C4'-P energy: -25.866
tors. eta vs tors. theta energy: -29.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -243.767812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.767812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.767812 (E_RNA)
where:
Base-Base interactions energy: -94.905
where: short stacking energy: -76.839
Base-Backbone interact. energy: -0.080
local terms energy: -148.782813
where:
bonds (distance) C4'-P energy: -35.387
bonds (distance) P-C4' energy: -37.720
flat angles C4'-P-C4' energy: -38.377
flat angles P-C4'-P energy: -30.544
tors. eta vs tors. theta energy: -6.754
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: 10, replica: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -241.940318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.940318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.940318 (E_RNA)
where:
Base-Base interactions energy: -86.648
where: short stacking energy: -85.479
Base-Backbone interact. energy: -0.017
local terms energy: -155.276188
where:
bonds (distance) C4'-P energy: -38.116
bonds (distance) P-C4' energy: -36.420
flat angles C4'-P-C4' energy: -44.629
flat angles P-C4'-P energy: -22.421
tors. eta vs tors. theta energy: -13.690
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: 2
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -938.657168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.657168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.657168 (E_RNA)
where:
Base-Base interactions energy: -663.181
where: short stacking energy: -254.010
Base-Backbone interact. energy: -3.133
local terms energy: -272.343241
where:
bonds (distance) C4'-P energy: -47.032
bonds (distance) P-C4' energy: -53.412
flat angles C4'-P-C4' energy: -54.806
flat angles P-C4'-P energy: -45.913
tors. eta vs tors. theta energy: -71.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -924.186352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.186352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.186352 (E_RNA)
where:
Base-Base interactions energy: -654.426
where: short stacking energy: -257.764
Base-Backbone interact. energy: -2.006
local terms energy: -267.754442
where:
bonds (distance) C4'-P energy: -40.871
bonds (distance) P-C4' energy: -58.789
flat angles C4'-P-C4' energy: -57.617
flat angles P-C4'-P energy: -38.429
tors. eta vs tors. theta energy: -72.050
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: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -866.805163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.805163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.805163 (E_RNA)
where:
Base-Base interactions energy: -608.021
where: short stacking energy: -237.778
Base-Backbone interact. energy: 1.393
local terms energy: -260.177030
where:
bonds (distance) C4'-P energy: -49.825
bonds (distance) P-C4' energy: -40.620
flat angles C4'-P-C4' energy: -58.580
flat angles P-C4'-P energy: -40.749
tors. eta vs tors. theta energy: -70.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -829.011368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.011368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.011368 (E_RNA)
where:
Base-Base interactions energy: -575.205
where: short stacking energy: -245.830
Base-Backbone interact. energy: -3.143
local terms energy: -250.663868
where:
bonds (distance) C4'-P energy: -41.216
bonds (distance) P-C4' energy: -53.422
flat angles C4'-P-C4' energy: -55.771
flat angles P-C4'-P energy: -36.654
tors. eta vs tors. theta energy: -63.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -768.591038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.591038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.591038 (E_RNA)
where:
Base-Base interactions energy: -518.756
where: short stacking energy: -211.671
Base-Backbone interact. energy: -1.407
local terms energy: -248.427800
where:
bonds (distance) C4'-P energy: -50.576
bonds (distance) P-C4' energy: -51.742
flat angles C4'-P-C4' energy: -49.652
flat angles P-C4'-P energy: -31.036
tors. eta vs tors. theta energy: -65.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -751.053893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.053893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.053893 (E_RNA)
where:
Base-Base interactions energy: -525.537
where: short stacking energy: -215.853
Base-Backbone interact. energy: -1.898
local terms energy: -223.618712
where:
bonds (distance) C4'-P energy: -39.190
bonds (distance) P-C4' energy: -46.393
flat angles C4'-P-C4' energy: -48.955
flat angles P-C4'-P energy: -31.135
tors. eta vs tors. theta energy: -57.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -705.764985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.764985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.764985 (E_RNA)
where:
Base-Base interactions energy: -482.121
where: short stacking energy: -218.507
Base-Backbone interact. energy: -1.995
local terms energy: -221.649477
where:
bonds (distance) C4'-P energy: -29.145
bonds (distance) P-C4' energy: -45.284
flat angles C4'-P-C4' energy: -52.604
flat angles P-C4'-P energy: -32.072
tors. eta vs tors. theta energy: -62.545
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: 10
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -489.188590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.188590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.188590 (E_RNA)
where:
Base-Base interactions energy: -294.990
where: short stacking energy: -129.245
Base-Backbone interact. energy: 0.192
local terms energy: -194.390437
where:
bonds (distance) C4'-P energy: -45.808
bonds (distance) P-C4' energy: -45.806
flat angles C4'-P-C4' energy: -49.708
flat angles P-C4'-P energy: -27.613
tors. eta vs tors. theta energy: -25.455
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: 107
Temperature: 1.300000
Total energy: -266.857903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.857903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.857903 (E_RNA)
where:
Base-Base interactions energy: -121.451
where: short stacking energy: -83.343
Base-Backbone interact. energy: 1.557
local terms energy: -146.963966
where:
bonds (distance) C4'-P energy: -34.867
bonds (distance) P-C4' energy: -54.518
flat angles C4'-P-C4' energy: -37.441
flat angles P-C4'-P energy: -22.867
tors. eta vs tors. theta energy: 2.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -215.095305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.095305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.095305 (E_RNA)
where:
Base-Base interactions energy: -64.869
where: short stacking energy: -54.384
Base-Backbone interact. energy: -0.966
local terms energy: -149.259733
where:
bonds (distance) C4'-P energy: -47.833
bonds (distance) P-C4' energy: -42.756
flat angles C4'-P-C4' energy: -34.822
flat angles P-C4'-P energy: -33.933
tors. eta vs tors. theta energy: 10.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -943.288827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.288827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.288827 (E_RNA)
where:
Base-Base interactions energy: -668.585
where: short stacking energy: -248.721
Base-Backbone interact. energy: -2.951
local terms energy: -271.752822
where:
bonds (distance) C4'-P energy: -49.137
bonds (distance) P-C4' energy: -57.104
flat angles C4'-P-C4' energy: -62.344
flat angles P-C4'-P energy: -35.457
tors. eta vs tors. theta energy: -67.709
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: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -919.100419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.100419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.100419 (E_RNA)
where:
Base-Base interactions energy: -642.875
where: short stacking energy: -257.418
Base-Backbone interact. energy: -1.250
local terms energy: -274.975717
where:
bonds (distance) C4'-P energy: -50.937
bonds (distance) P-C4' energy: -48.486
flat angles C4'-P-C4' energy: -59.579
flat angles P-C4'-P energy: -41.365
tors. eta vs tors. theta energy: -74.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -876.674896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.674896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.674896 (E_RNA)
where:
Base-Base interactions energy: -623.263
where: short stacking energy: -240.984
Base-Backbone interact. energy: 0.138
local terms energy: -253.549819
where:
bonds (distance) C4'-P energy: -50.019
bonds (distance) P-C4' energy: -46.383
flat angles C4'-P-C4' energy: -57.036
flat angles P-C4'-P energy: -36.017
tors. eta vs tors. theta energy: -64.095
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: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -867.572791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.572791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.572791 (E_RNA)
where:
Base-Base interactions energy: -599.647
where: short stacking energy: -246.933
Base-Backbone interact. energy: 1.206
local terms energy: -269.131201
where:
bonds (distance) C4'-P energy: -47.387
bonds (distance) P-C4' energy: -55.399
flat angles C4'-P-C4' energy: -55.137
flat angles P-C4'-P energy: -36.602
tors. eta vs tors. theta energy: -74.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -768.347999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.347999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.347999 (E_RNA)
where:
Base-Base interactions energy: -533.199
where: short stacking energy: -215.141
Base-Backbone interact. energy: -2.170
local terms energy: -232.979217
where:
bonds (distance) C4'-P energy: -44.040
bonds (distance) P-C4' energy: -40.632
flat angles C4'-P-C4' energy: -53.638
flat angles P-C4'-P energy: -31.940
tors. eta vs tors. theta energy: -62.728
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: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -760.317799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.317799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.317799 (E_RNA)
where:
Base-Base interactions energy: -522.417
where: short stacking energy: -200.854
Base-Backbone interact. energy: -2.191
local terms energy: -235.708920
where:
bonds (distance) C4'-P energy: -47.199
bonds (distance) P-C4' energy: -40.639
flat angles C4'-P-C4' energy: -47.900
flat angles P-C4'-P energy: -44.547
tors. eta vs tors. theta energy: -55.424
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: 4
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -710.605266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.605266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.605266 (E_RNA)
where:
Base-Base interactions energy: -483.370
where: short stacking energy: -211.874
Base-Backbone interact. energy: -1.494
local terms energy: -225.740488
where:
bonds (distance) C4'-P energy: -44.180
bonds (distance) P-C4' energy: -42.050
flat angles C4'-P-C4' energy: -51.913
flat angles P-C4'-P energy: -36.565
tors. eta vs tors. theta energy: -51.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -513.491960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.491960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.491960 (E_RNA)
where:
Base-Base interactions energy: -302.469
where: short stacking energy: -150.548
Base-Backbone interact. energy: -0.159
local terms energy: -210.863928
where:
bonds (distance) C4'-P energy: -39.365
bonds (distance) P-C4' energy: -55.682
flat angles C4'-P-C4' energy: -47.983
flat angles P-C4'-P energy: -34.071
tors. eta vs tors. theta energy: -33.763
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: 108
Temperature: 1.300000
Total energy: -244.489291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.489291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.489291 (E_RNA)
where:
Base-Base interactions energy: -86.754
where: short stacking energy: -76.628
Base-Backbone interact. energy: -0.377
local terms energy: -157.358148
where:
bonds (distance) C4'-P energy: -41.035
bonds (distance) P-C4' energy: -47.981
flat angles C4'-P-C4' energy: -46.399
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -2.926
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: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -223.211878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.211878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.211878 (E_RNA)
where:
Base-Base interactions energy: -80.286
where: short stacking energy: -73.792
Base-Backbone interact. energy: 0.605
local terms energy: -143.530519
where:
bonds (distance) C4'-P energy: -49.494
bonds (distance) P-C4' energy: -45.488
flat angles C4'-P-C4' energy: -32.431
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -0.532
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: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -935.644146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.644146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.644146 (E_RNA)
where:
Base-Base interactions energy: -656.112
where: short stacking energy: -252.158
Base-Backbone interact. energy: -2.753
local terms energy: -276.779779
where:
bonds (distance) C4'-P energy: -48.542
bonds (distance) P-C4' energy: -58.015
flat angles C4'-P-C4' energy: -58.961
flat angles P-C4'-P energy: -38.390
tors. eta vs tors. theta energy: -72.872
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: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -904.810955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.810955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.810955 (E_RNA)
where:
Base-Base interactions energy: -640.582
where: short stacking energy: -245.178
Base-Backbone interact. energy: 0.108
local terms energy: -264.337499
where:
bonds (distance) C4'-P energy: -55.697
bonds (distance) P-C4' energy: -50.174
flat angles C4'-P-C4' energy: -52.643
flat angles P-C4'-P energy: -34.591
tors. eta vs tors. theta energy: -71.233
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: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -878.276330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.276330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.276330 (E_RNA)
where:
Base-Base interactions energy: -612.536
where: short stacking energy: -254.963
Base-Backbone interact. energy: -1.808
local terms energy: -263.932549
where:
bonds (distance) C4'-P energy: -55.507
bonds (distance) P-C4' energy: -46.618
flat angles C4'-P-C4' energy: -56.341
flat angles P-C4'-P energy: -36.505
tors. eta vs tors. theta energy: -68.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -859.348386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.348386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.348386 (E_RNA)
where:
Base-Base interactions energy: -584.315
where: short stacking energy: -238.328
Base-Backbone interact. energy: -1.685
local terms energy: -273.348195
where:
bonds (distance) C4'-P energy: -59.325
bonds (distance) P-C4' energy: -52.594
flat angles C4'-P-C4' energy: -58.956
flat angles P-C4'-P energy: -38.406
tors. eta vs tors. theta energy: -64.068
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: 5, replica: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -802.173287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.173287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.173287 (E_RNA)
where:
Base-Base interactions energy: -562.646
where: short stacking energy: -232.627
Base-Backbone interact. energy: 0.343
local terms energy: -239.870117
where:
bonds (distance) C4'-P energy: -43.711
bonds (distance) P-C4' energy: -46.186
flat angles C4'-P-C4' energy: -45.606
flat angles P-C4'-P energy: -41.345
tors. eta vs tors. theta energy: -63.022
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: 109
Temperature: 1.150000
Total energy: -767.682230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.682230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.682230 (E_RNA)
where:
Base-Base interactions energy: -525.147
where: short stacking energy: -206.154
Base-Backbone interact. energy: -1.485
local terms energy: -241.050884
where:
bonds (distance) C4'-P energy: -47.908
bonds (distance) P-C4' energy: -47.708
flat angles C4'-P-C4' energy: -59.587
flat angles P-C4'-P energy: -29.821
tors. eta vs tors. theta energy: -56.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -701.129657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.129657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.129657 (E_RNA)
where:
Base-Base interactions energy: -455.294
where: short stacking energy: -195.724
Base-Backbone interact. energy: 0.155
local terms energy: -245.990679
where:
bonds (distance) C4'-P energy: -45.187
bonds (distance) P-C4' energy: -54.266
flat angles C4'-P-C4' energy: -56.640
flat angles P-C4'-P energy: -28.720
tors. eta vs tors. theta energy: -61.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -471.478525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.478525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.478525 (E_RNA)
where:
Base-Base interactions energy: -300.198
where: short stacking energy: -144.964
Base-Backbone interact. energy: -1.226
local terms energy: -170.054872
where:
bonds (distance) C4'-P energy: -33.564
bonds (distance) P-C4' energy: -38.088
flat angles C4'-P-C4' energy: -45.126
flat angles P-C4'-P energy: -27.825
tors. eta vs tors. theta energy: -25.451
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: 109
Temperature: 1.300000
Total energy: -247.140558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.140558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.140558 (E_RNA)
where:
Base-Base interactions energy: -89.759
where: short stacking energy: -81.215
Base-Backbone interact. energy: 0.638
local terms energy: -158.018978
where:
bonds (distance) C4'-P energy: -39.851
bonds (distance) P-C4' energy: -35.061
flat angles C4'-P-C4' energy: -36.822
flat angles P-C4'-P energy: -37.450
tors. eta vs tors. theta energy: -8.835
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: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -232.322725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.322725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.322725 (E_RNA)
where:
Base-Base interactions energy: -95.997
where: short stacking energy: -76.427
Base-Backbone interact. energy: -0.437
local terms energy: -135.888580
where:
bonds (distance) C4'-P energy: -41.702
bonds (distance) P-C4' energy: -50.535
flat angles C4'-P-C4' energy: -36.405
flat angles P-C4'-P energy: -18.464
tors. eta vs tors. theta energy: 11.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -922.808760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.808760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.808760 (E_RNA)
where:
Base-Base interactions energy: -643.284
where: short stacking energy: -248.081
Base-Backbone interact. energy: 0.240
local terms energy: -279.764825
where:
bonds (distance) C4'-P energy: -53.804
bonds (distance) P-C4' energy: -63.054
flat angles C4'-P-C4' energy: -56.896
flat angles P-C4'-P energy: -40.648
tors. eta vs tors. theta energy: -65.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -928.489323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.489323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.489323 (E_RNA)
where:
Base-Base interactions energy: -653.136
where: short stacking energy: -263.399
Base-Backbone interact. energy: -3.682
local terms energy: -271.671032
where:
bonds (distance) C4'-P energy: -46.345
bonds (distance) P-C4' energy: -46.931
flat angles C4'-P-C4' energy: -66.681
flat angles P-C4'-P energy: -37.179
tors. eta vs tors. theta energy: -74.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -884.402771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.402771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.402771 (E_RNA)
where:
Base-Base interactions energy: -620.727
where: short stacking energy: -252.616
Base-Backbone interact. energy: 0.115
local terms energy: -263.789901
where:
bonds (distance) C4'-P energy: -49.923
bonds (distance) P-C4' energy: -41.541
flat angles C4'-P-C4' energy: -62.049
flat angles P-C4'-P energy: -42.391
tors. eta vs tors. theta energy: -67.887
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: 3
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -857.793229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.793229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.793229 (E_RNA)
where:
Base-Base interactions energy: -595.091
where: short stacking energy: -249.516
Base-Backbone interact. energy: -4.659
local terms energy: -258.042457
where:
bonds (distance) C4'-P energy: -39.173
bonds (distance) P-C4' energy: -46.944
flat angles C4'-P-C4' energy: -61.050
flat angles P-C4'-P energy: -46.036
tors. eta vs tors. theta energy: -64.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -798.392519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.392519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.392519 (E_RNA)
where:
Base-Base interactions energy: -545.916
where: short stacking energy: -239.652
Base-Backbone interact. energy: -2.732
local terms energy: -249.744057
where:
bonds (distance) C4'-P energy: -44.681
bonds (distance) P-C4' energy: -53.975
flat angles C4'-P-C4' energy: -55.910
flat angles P-C4'-P energy: -31.182
tors. eta vs tors. theta energy: -63.997
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: 6, replica: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -740.481871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.481871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.481871 (E_RNA)
where:
Base-Base interactions energy: -505.715
where: short stacking energy: -219.352
Base-Backbone interact. energy: 0.852
local terms energy: -235.618678
where:
bonds (distance) C4'-P energy: -40.567
bonds (distance) P-C4' energy: -47.182
flat angles C4'-P-C4' energy: -57.775
flat angles P-C4'-P energy: -33.280
tors. eta vs tors. theta energy: -56.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -672.036170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.036170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.036170 (E_RNA)
where:
Base-Base interactions energy: -454.789
where: short stacking energy: -203.422
Base-Backbone interact. energy: -0.629
local terms energy: -216.618830
where:
bonds (distance) C4'-P energy: -29.584
bonds (distance) P-C4' energy: -48.672
flat angles C4'-P-C4' energy: -51.988
flat angles P-C4'-P energy: -34.120
tors. eta vs tors. theta energy: -52.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -481.378756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.378756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.378756 (E_RNA)
where:
Base-Base interactions energy: -302.217
where: short stacking energy: -138.572
Base-Backbone interact. energy: -2.157
local terms energy: -177.004267
where:
bonds (distance) C4'-P energy: -44.640
bonds (distance) P-C4' energy: -48.612
flat angles C4'-P-C4' energy: -39.546
flat angles P-C4'-P energy: -27.163
tors. eta vs tors. theta energy: -17.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -249.613270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.613270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.613270 (E_RNA)
where:
Base-Base interactions energy: -79.126
where: short stacking energy: -72.106
Base-Backbone interact. energy: 0.032
local terms energy: -170.519730
where:
bonds (distance) C4'-P energy: -43.149
bonds (distance) P-C4' energy: -47.542
flat angles C4'-P-C4' energy: -43.689
flat angles P-C4'-P energy: -34.100
tors. eta vs tors. theta energy: -2.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -224.217225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.217225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.217225 (E_RNA)
where:
Base-Base interactions energy: -91.888
where: short stacking energy: -88.779
Base-Backbone interact. energy: -0.625
local terms energy: -131.703989
where:
bonds (distance) C4'-P energy: -38.920
bonds (distance) P-C4' energy: -34.825
flat angles C4'-P-C4' energy: -41.016
flat angles P-C4'-P energy: -20.657
tors. eta vs tors. theta energy: 3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -942.486839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.486839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.486839 (E_RNA)
where:
Base-Base interactions energy: -663.556
where: short stacking energy: -250.642
Base-Backbone interact. energy: -2.391
local terms energy: -276.540203
where:
bonds (distance) C4'-P energy: -50.120
bonds (distance) P-C4' energy: -55.543
flat angles C4'-P-C4' energy: -52.555
flat angles P-C4'-P energy: -43.880
tors. eta vs tors. theta energy: -74.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -924.147274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.147274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.147274 (E_RNA)
where:
Base-Base interactions energy: -654.729
where: short stacking energy: -249.662
Base-Backbone interact. energy: -1.610
local terms energy: -267.808707
where:
bonds (distance) C4'-P energy: -46.041
bonds (distance) P-C4' energy: -54.367
flat angles C4'-P-C4' energy: -58.364
flat angles P-C4'-P energy: -38.773
tors. eta vs tors. theta energy: -70.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -907.705345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.705345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.705345 (E_RNA)
where:
Base-Base interactions energy: -638.477
where: short stacking energy: -247.380
Base-Backbone interact. energy: -0.168
local terms energy: -269.060459
where:
bonds (distance) C4'-P energy: -51.085
bonds (distance) P-C4' energy: -53.419
flat angles C4'-P-C4' energy: -55.174
flat angles P-C4'-P energy: -35.226
tors. eta vs tors. theta energy: -74.156
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: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -866.722094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.722094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.722094 (E_RNA)
where:
Base-Base interactions energy: -612.767
where: short stacking energy: -252.814
Base-Backbone interact. energy: -2.718
local terms energy: -251.237511
where:
bonds (distance) C4'-P energy: -38.982
bonds (distance) P-C4' energy: -55.434
flat angles C4'-P-C4' energy: -56.258
flat angles P-C4'-P energy: -38.121
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: 5, replica: 7
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -808.384806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.384806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.384806 (E_RNA)
where:
Base-Base interactions energy: -551.226
where: short stacking energy: -236.235
Base-Backbone interact. energy: -0.615
local terms energy: -256.544166
where:
bonds (distance) C4'-P energy: -44.717
bonds (distance) P-C4' energy: -47.241
flat angles C4'-P-C4' energy: -56.409
flat angles P-C4'-P energy: -34.978
tors. eta vs tors. theta energy: -73.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -722.474981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.474981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.474981 (E_RNA)
where:
Base-Base interactions energy: -495.953
where: short stacking energy: -197.965
Base-Backbone interact. energy: -1.886
local terms energy: -224.636292
where:
bonds (distance) C4'-P energy: -38.633
bonds (distance) P-C4' energy: -50.930
flat angles C4'-P-C4' energy: -55.009
flat angles P-C4'-P energy: -36.358
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: 7, replica: 4
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -714.747276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.747276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.747276 (E_RNA)
where:
Base-Base interactions energy: -475.755
where: short stacking energy: -196.773
Base-Backbone interact. energy: -0.733
local terms energy: -238.258618
where:
bonds (distance) C4'-P energy: -54.289
bonds (distance) P-C4' energy: -42.531
flat angles C4'-P-C4' energy: -54.808
flat angles P-C4'-P energy: -25.032
tors. eta vs tors. theta energy: -61.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -531.792314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.792314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.792314 (E_RNA)
where:
Base-Base interactions energy: -342.133
where: short stacking energy: -154.038
Base-Backbone interact. energy: -0.881
local terms energy: -188.778650
where:
bonds (distance) C4'-P energy: -42.067
bonds (distance) P-C4' energy: -47.165
flat angles C4'-P-C4' energy: -49.617
flat angles P-C4'-P energy: -19.004
tors. eta vs tors. theta energy: -30.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -273.980058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.980058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.980058 (E_RNA)
where:
Base-Base interactions energy: -105.660
where: short stacking energy: -85.075
Base-Backbone interact. energy: -2.177
local terms energy: -166.143485
where:
bonds (distance) C4'-P energy: -47.747
bonds (distance) P-C4' energy: -37.977
flat angles C4'-P-C4' energy: -48.561
flat angles P-C4'-P energy: -28.054
tors. eta vs tors. theta energy: -3.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -260.469074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.469074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.469074 (E_RNA)
where:
Base-Base interactions energy: -126.845
where: short stacking energy: -81.033
Base-Backbone interact. energy: 8.453
local terms energy: -142.077325
where:
bonds (distance) C4'-P energy: -49.773
bonds (distance) P-C4' energy: -45.009
flat angles C4'-P-C4' energy: -28.331
flat angles P-C4'-P energy: -23.632
tors. eta vs tors. theta energy: 4.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -938.399528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.399528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.399528 (E_RNA)
where:
Base-Base interactions energy: -658.971
where: short stacking energy: -271.357
Base-Backbone interact. energy: -1.521
local terms energy: -277.907263
where:
bonds (distance) C4'-P energy: -57.433
bonds (distance) P-C4' energy: -48.839
flat angles C4'-P-C4' energy: -57.876
flat angles P-C4'-P energy: -38.274
tors. eta vs tors. theta energy: -75.485
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: 5
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -914.533292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.533292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.533292 (E_RNA)
where:
Base-Base interactions energy: -641.270
where: short stacking energy: -261.327
Base-Backbone interact. energy: -0.636
local terms energy: -272.627812
where:
bonds (distance) C4'-P energy: -52.409
bonds (distance) P-C4' energy: -47.177
flat angles C4'-P-C4' energy: -55.651
flat angles P-C4'-P energy: -41.265
tors. eta vs tors. theta energy: -76.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -866.159997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.159997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.159997 (E_RNA)
where:
Base-Base interactions energy: -603.713
where: short stacking energy: -253.283
Base-Backbone interact. energy: -2.182
local terms energy: -260.265381
where:
bonds (distance) C4'-P energy: -52.987
bonds (distance) P-C4' energy: -50.563
flat angles C4'-P-C4' energy: -49.970
flat angles P-C4'-P energy: -40.091
tors. eta vs tors. theta energy: -66.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -856.435375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.435375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.435375 (E_RNA)
where:
Base-Base interactions energy: -599.387
where: short stacking energy: -243.226
Base-Backbone interact. energy: 1.718
local terms energy: -258.766264
where:
bonds (distance) C4'-P energy: -49.715
bonds (distance) P-C4' energy: -51.117
flat angles C4'-P-C4' energy: -54.169
flat angles P-C4'-P energy: -37.995
tors. eta vs tors. theta energy: -65.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -788.507438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.507438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.507438 (E_RNA)
where:
Base-Base interactions energy: -534.128
where: short stacking energy: -232.436
Base-Backbone interact. energy: -0.624
local terms energy: -253.755649
where:
bonds (distance) C4'-P energy: -49.462
bonds (distance) P-C4' energy: -50.980
flat angles C4'-P-C4' energy: -50.245
flat angles P-C4'-P energy: -40.620
tors. eta vs tors. theta energy: -62.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -779.451022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.451022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.451022 (E_RNA)
where:
Base-Base interactions energy: -543.232
where: short stacking energy: -240.834
Base-Backbone interact. energy: -1.526
local terms energy: -234.692336
where:
bonds (distance) C4'-P energy: -41.702
bonds (distance) P-C4' energy: -48.940
flat angles C4'-P-C4' energy: -48.107
flat angles P-C4'-P energy: -29.124
tors. eta vs tors. theta energy: -66.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -726.394722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.394722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.394722 (E_RNA)
where:
Base-Base interactions energy: -486.458
where: short stacking energy: -226.597
Base-Backbone interact. energy: 0.520
local terms energy: -240.456760
where:
bonds (distance) C4'-P energy: -46.933
bonds (distance) P-C4' energy: -45.596
flat angles C4'-P-C4' energy: -56.963
flat angles P-C4'-P energy: -27.335
tors. eta vs tors. theta energy: -63.630
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: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -555.716104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.716104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.716104 (E_RNA)
where:
Base-Base interactions energy: -350.922
where: short stacking energy: -145.710
Base-Backbone interact. energy: -0.551
local terms energy: -204.242742
where:
bonds (distance) C4'-P energy: -45.847
bonds (distance) P-C4' energy: -45.895
flat angles C4'-P-C4' energy: -55.213
flat angles P-C4'-P energy: -29.128
tors. eta vs tors. theta energy: -28.160
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: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -269.710447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.710447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.710447 (E_RNA)
where:
Base-Base interactions energy: -101.908
where: short stacking energy: -74.697
Base-Backbone interact. energy: 0.836
local terms energy: -168.638001
where:
bonds (distance) C4'-P energy: -55.343
bonds (distance) P-C4' energy: -40.240
flat angles C4'-P-C4' energy: -42.258
flat angles P-C4'-P energy: -25.606
tors. eta vs tors. theta energy: -5.191
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: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -236.874228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.874228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.874228 (E_RNA)
where:
Base-Base interactions energy: -90.797
where: short stacking energy: -59.971
Base-Backbone interact. energy: 1.213
local terms energy: -147.290139
where:
bonds (distance) C4'-P energy: -49.300
bonds (distance) P-C4' energy: -43.805
flat angles C4'-P-C4' energy: -39.214
flat angles P-C4'-P energy: -26.240
tors. eta vs tors. theta energy: 11.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -948.353661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.353661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.353661 (E_RNA)
where:
Base-Base interactions energy: -661.389
where: short stacking energy: -268.733
Base-Backbone interact. energy: -1.544
local terms energy: -285.420138
where:
bonds (distance) C4'-P energy: -58.750
bonds (distance) P-C4' energy: -51.596
flat angles C4'-P-C4' energy: -58.483
flat angles P-C4'-P energy: -39.092
tors. eta vs tors. theta energy: -77.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -914.836062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.836062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.836062 (E_RNA)
where:
Base-Base interactions energy: -655.519
where: short stacking energy: -254.177
Base-Backbone interact. energy: -1.196
local terms energy: -258.120713
where:
bonds (distance) C4'-P energy: -44.977
bonds (distance) P-C4' energy: -52.365
flat angles C4'-P-C4' energy: -51.514
flat angles P-C4'-P energy: -37.111
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: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -866.387506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.387506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.387506 (E_RNA)
where:
Base-Base interactions energy: -604.291
where: short stacking energy: -239.600
Base-Backbone interact. energy: 0.984
local terms energy: -263.080079
where:
bonds (distance) C4'-P energy: -47.525
bonds (distance) P-C4' energy: -49.018
flat angles C4'-P-C4' energy: -57.889
flat angles P-C4'-P energy: -41.662
tors. eta vs tors. theta energy: -66.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -846.310654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.310654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.310654 (E_RNA)
where:
Base-Base interactions energy: -589.092
where: short stacking energy: -224.598
Base-Backbone interact. energy: 2.044
local terms energy: -259.262968
where:
bonds (distance) C4'-P energy: -45.854
bonds (distance) P-C4' energy: -55.529
flat angles C4'-P-C4' energy: -59.641
flat angles P-C4'-P energy: -34.305
tors. eta vs tors. theta energy: -63.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -735.734234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.734234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.734234 (E_RNA)
where:
Base-Base interactions energy: -499.724
where: short stacking energy: -199.357
Base-Backbone interact. energy: -1.169
local terms energy: -234.841184
where:
bonds (distance) C4'-P energy: -46.485
bonds (distance) P-C4' energy: -47.184
flat angles C4'-P-C4' energy: -55.474
flat angles P-C4'-P energy: -38.893
tors. eta vs tors. theta energy: -46.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -750.952960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.952960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.952960 (E_RNA)
where:
Base-Base interactions energy: -515.531
where: short stacking energy: -218.064
Base-Backbone interact. energy: -0.986
local terms energy: -234.435791
where:
bonds (distance) C4'-P energy: -33.188
bonds (distance) P-C4' energy: -42.577
flat angles C4'-P-C4' energy: -57.982
flat angles P-C4'-P energy: -31.708
tors. eta vs tors. theta energy: -68.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -768.090492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.090492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.090492 (E_RNA)
where:
Base-Base interactions energy: -511.195
where: short stacking energy: -211.883
Base-Backbone interact. energy: 0.280
local terms energy: -257.175869
where:
bonds (distance) C4'-P energy: -51.817
bonds (distance) P-C4' energy: -50.584
flat angles C4'-P-C4' energy: -56.312
flat angles P-C4'-P energy: -34.227
tors. eta vs tors. theta energy: -64.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -550.803246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.803246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.803246 (E_RNA)
where:
Base-Base interactions energy: -356.470
where: short stacking energy: -158.741
Base-Backbone interact. energy: 0.102
local terms energy: -194.435022
where:
bonds (distance) C4'-P energy: -44.604
bonds (distance) P-C4' energy: -53.483
flat angles C4'-P-C4' energy: -34.674
flat angles P-C4'-P energy: -31.815
tors. eta vs tors. theta energy: -29.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -265.036958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.036958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.036958 (E_RNA)
where:
Base-Base interactions energy: -106.931
where: short stacking energy: -72.326
Base-Backbone interact. energy: -0.492
local terms energy: -157.614195
where:
bonds (distance) C4'-P energy: -32.863
bonds (distance) P-C4' energy: -59.430
flat angles C4'-P-C4' energy: -45.320
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: -3.842
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: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -240.657203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.657203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.657203 (E_RNA)
where:
Base-Base interactions energy: -104.975
where: short stacking energy: -77.970
Base-Backbone interact. energy: 1.644
local terms energy: -137.326460
where:
bonds (distance) C4'-P energy: -40.637
bonds (distance) P-C4' energy: -40.930
flat angles C4'-P-C4' energy: -41.250
flat angles P-C4'-P energy: -24.183
tors. eta vs tors. theta energy: 9.674
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: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -934.949132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.949132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.949132 (E_RNA)
where:
Base-Base interactions energy: -649.367
where: short stacking energy: -269.891
Base-Backbone interact. energy: -0.846
local terms energy: -284.736293
where:
bonds (distance) C4'-P energy: -56.532
bonds (distance) P-C4' energy: -50.772
flat angles C4'-P-C4' energy: -63.557
flat angles P-C4'-P energy: -36.540
tors. eta vs tors. theta energy: -77.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -923.901307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.901307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.901307 (E_RNA)
where:
Base-Base interactions energy: -653.445
where: short stacking energy: -259.237
Base-Backbone interact. energy: -1.009
local terms energy: -269.447023
where:
bonds (distance) C4'-P energy: -46.774
bonds (distance) P-C4' energy: -51.250
flat angles C4'-P-C4' energy: -56.298
flat angles P-C4'-P energy: -38.644
tors. eta vs tors. theta energy: -76.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -882.534278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.534278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.534278 (E_RNA)
where:
Base-Base interactions energy: -627.644
where: short stacking energy: -249.515
Base-Backbone interact. energy: -2.415
local terms energy: -252.475611
where:
bonds (distance) C4'-P energy: -47.756
bonds (distance) P-C4' energy: -49.711
flat angles C4'-P-C4' energy: -57.137
flat angles P-C4'-P energy: -33.060
tors. eta vs tors. theta energy: -64.811
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: 114
Temperature: 1.050000
Total energy: -859.342699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.342699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.342699 (E_RNA)
where:
Base-Base interactions energy: -602.579
where: short stacking energy: -232.018
Base-Backbone interact. energy: -2.882
local terms energy: -253.881615
where:
bonds (distance) C4'-P energy: -52.046
bonds (distance) P-C4' energy: -43.150
flat angles C4'-P-C4' energy: -54.451
flat angles P-C4'-P energy: -36.193
tors. eta vs tors. theta energy: -68.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -793.270555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.270555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.270555 (E_RNA)
where:
Base-Base interactions energy: -553.906
where: short stacking energy: -215.067
Base-Backbone interact. energy: -0.747
local terms energy: -238.616937
where:
bonds (distance) C4'-P energy: -49.205
bonds (distance) P-C4' energy: -52.695
flat angles C4'-P-C4' energy: -47.109
flat angles P-C4'-P energy: -28.365
tors. eta vs tors. theta energy: -61.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -733.403702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.403702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.403702 (E_RNA)
where:
Base-Base interactions energy: -495.296
where: short stacking energy: -209.434
Base-Backbone interact. energy: 0.045
local terms energy: -238.152659
where:
bonds (distance) C4'-P energy: -40.084
bonds (distance) P-C4' energy: -52.329
flat angles C4'-P-C4' energy: -46.499
flat angles P-C4'-P energy: -34.111
tors. eta vs tors. theta energy: -65.130
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: 114
Temperature: 1.200000
Total energy: -755.559027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.559027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.559027 (E_RNA)
where:
Base-Base interactions energy: -503.457
where: short stacking energy: -216.553
Base-Backbone interact. energy: 0.234
local terms energy: -252.336210
where:
bonds (distance) C4'-P energy: -46.262
bonds (distance) P-C4' energy: -53.007
flat angles C4'-P-C4' energy: -51.821
flat angles P-C4'-P energy: -32.055
tors. eta vs tors. theta energy: -69.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -571.999704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.999704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.999704 (E_RNA)
where:
Base-Base interactions energy: -376.899
where: short stacking energy: -153.851
Base-Backbone interact. energy: -1.155
local terms energy: -193.946507
where:
bonds (distance) C4'-P energy: -38.469
bonds (distance) P-C4' energy: -35.394
flat angles C4'-P-C4' energy: -49.190
flat angles P-C4'-P energy: -35.142
tors. eta vs tors. theta energy: -35.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -264.059358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.059358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.059358 (E_RNA)
where:
Base-Base interactions energy: -109.410
where: short stacking energy: -80.075
Base-Backbone interact. energy: 0.418
local terms energy: -155.067619
where:
bonds (distance) C4'-P energy: -30.216
bonds (distance) P-C4' energy: -49.144
flat angles C4'-P-C4' energy: -44.819
flat angles P-C4'-P energy: -32.734
tors. eta vs tors. theta energy: 1.846
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: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -238.504043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.504043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.504043 (E_RNA)
where:
Base-Base interactions energy: -101.934
where: short stacking energy: -98.354
Base-Backbone interact. energy: -0.050
local terms energy: -136.519809
where:
bonds (distance) C4'-P energy: -33.584
bonds (distance) P-C4' energy: -36.868
flat angles C4'-P-C4' energy: -33.205
flat angles P-C4'-P energy: -22.198
tors. eta vs tors. theta energy: -10.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -926.752036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.752036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.752036 (E_RNA)
where:
Base-Base interactions energy: -637.140
where: short stacking energy: -270.273
Base-Backbone interact. energy: -1.751
local terms energy: -287.861485
where:
bonds (distance) C4'-P energy: -52.823
bonds (distance) P-C4' energy: -58.542
flat angles C4'-P-C4' energy: -64.236
flat angles P-C4'-P energy: -33.542
tors. eta vs tors. theta energy: -78.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -889.314278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.314278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.314278 (E_RNA)
where:
Base-Base interactions energy: -613.786
where: short stacking energy: -230.507
Base-Backbone interact. energy: -1.554
local terms energy: -273.973695
where:
bonds (distance) C4'-P energy: -61.242
bonds (distance) P-C4' energy: -49.680
flat angles C4'-P-C4' energy: -57.447
flat angles P-C4'-P energy: -39.037
tors. eta vs tors. theta energy: -66.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -905.768894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.768894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.768894 (E_RNA)
where:
Base-Base interactions energy: -629.754
where: short stacking energy: -250.277
Base-Backbone interact. energy: 0.198
local terms energy: -276.212815
where:
bonds (distance) C4'-P energy: -50.429
bonds (distance) P-C4' energy: -59.335
flat angles C4'-P-C4' energy: -61.364
flat angles P-C4'-P energy: -30.942
tors. eta vs tors. theta energy: -74.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -833.922046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.922046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.922046 (E_RNA)
where:
Base-Base interactions energy: -585.303
where: short stacking energy: -241.705
Base-Backbone interact. energy: -1.183
local terms energy: -247.435522
where:
bonds (distance) C4'-P energy: -48.152
bonds (distance) P-C4' energy: -50.871
flat angles C4'-P-C4' energy: -47.974
flat angles P-C4'-P energy: -33.472
tors. eta vs tors. theta energy: -66.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -788.942029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.942029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.942029 (E_RNA)
where:
Base-Base interactions energy: -531.048
where: short stacking energy: -201.777
Base-Backbone interact. energy: -0.952
local terms energy: -256.941784
where:
bonds (distance) C4'-P energy: -50.041
bonds (distance) P-C4' energy: -47.500
flat angles C4'-P-C4' energy: -53.379
flat angles P-C4'-P energy: -42.525
tors. eta vs tors. theta energy: -63.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -790.726897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.726897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.726897 (E_RNA)
where:
Base-Base interactions energy: -545.500
where: short stacking energy: -236.760
Base-Backbone interact. energy: -0.801
local terms energy: -244.426694
where:
bonds (distance) C4'-P energy: -46.770
bonds (distance) P-C4' energy: -43.291
flat angles C4'-P-C4' energy: -54.156
flat angles P-C4'-P energy: -31.778
tors. eta vs tors. theta energy: -68.432
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: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -737.651681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.651681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.651681 (E_RNA)
where:
Base-Base interactions energy: -477.781
where: short stacking energy: -208.634
Base-Backbone interact. energy: -0.035
local terms energy: -259.835209
where:
bonds (distance) C4'-P energy: -44.713
bonds (distance) P-C4' energy: -57.660
flat angles C4'-P-C4' energy: -57.874
flat angles P-C4'-P energy: -37.623
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: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -581.215012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.215012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.215012 (E_RNA)
where:
Base-Base interactions energy: -380.032
where: short stacking energy: -165.874
Base-Backbone interact. energy: -0.111
local terms energy: -201.071969
where:
bonds (distance) C4'-P energy: -47.406
bonds (distance) P-C4' energy: -46.256
flat angles C4'-P-C4' energy: -51.414
flat angles P-C4'-P energy: -17.799
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: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -308.055009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.055009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.055009 (E_RNA)
where:
Base-Base interactions energy: -151.737
where: short stacking energy: -95.827
Base-Backbone interact. energy: -0.341
local terms energy: -155.977019
where:
bonds (distance) C4'-P energy: -47.848
bonds (distance) P-C4' energy: -50.210
flat angles C4'-P-C4' energy: -32.996
flat angles P-C4'-P energy: -21.251
tors. eta vs tors. theta energy: -3.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -218.193119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.193119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.193119 (E_RNA)
where:
Base-Base interactions energy: -63.656
where: short stacking energy: -61.273
Base-Backbone interact. energy: -0.339
local terms energy: -154.197879
where:
bonds (distance) C4'-P energy: -48.594
bonds (distance) P-C4' energy: -52.018
flat angles C4'-P-C4' energy: -26.360
flat angles P-C4'-P energy: -29.500
tors. eta vs tors. theta energy: 2.274
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: 5
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -933.858606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.858606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.858606 (E_RNA)
where:
Base-Base interactions energy: -668.884
where: short stacking energy: -257.791
Base-Backbone interact. energy: -1.709
local terms energy: -263.265469
where:
bonds (distance) C4'-P energy: -43.870
bonds (distance) P-C4' energy: -49.860
flat angles C4'-P-C4' energy: -55.130
flat angles P-C4'-P energy: -42.377
tors. eta vs tors. theta energy: -72.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -901.146420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.146420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.146420 (E_RNA)
where:
Base-Base interactions energy: -640.590
where: short stacking energy: -257.480
Base-Backbone interact. energy: -2.071
local terms energy: -258.484710
where:
bonds (distance) C4'-P energy: -49.901
bonds (distance) P-C4' energy: -50.414
flat angles C4'-P-C4' energy: -52.789
flat angles P-C4'-P energy: -34.719
tors. eta vs tors. theta energy: -70.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -907.231057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.231057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.231057 (E_RNA)
where:
Base-Base interactions energy: -610.414
where: short stacking energy: -240.975
Base-Backbone interact. energy: -1.681
local terms energy: -295.136582
where:
bonds (distance) C4'-P energy: -54.048
bonds (distance) P-C4' energy: -54.599
flat angles C4'-P-C4' energy: -67.783
flat angles P-C4'-P energy: -43.716
tors. eta vs tors. theta energy: -74.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -864.469114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.469114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.469114 (E_RNA)
where:
Base-Base interactions energy: -585.238
where: short stacking energy: -245.072
Base-Backbone interact. energy: -0.257
local terms energy: -278.974615
where:
bonds (distance) C4'-P energy: -58.465
bonds (distance) P-C4' energy: -51.164
flat angles C4'-P-C4' energy: -55.440
flat angles P-C4'-P energy: -40.494
tors. eta vs tors. theta energy: -73.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -815.185016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.185016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.185016 (E_RNA)
where:
Base-Base interactions energy: -568.375
where: short stacking energy: -242.148
Base-Backbone interact. energy: -1.575
local terms energy: -245.235342
where:
bonds (distance) C4'-P energy: -54.554
bonds (distance) P-C4' energy: -40.813
flat angles C4'-P-C4' energy: -50.883
flat angles P-C4'-P energy: -31.219
tors. eta vs tors. theta energy: -67.767
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: 116
Temperature: 1.150000
Total energy: -781.000749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.000749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.000749 (E_RNA)
where:
Base-Base interactions energy: -535.931
where: short stacking energy: -227.310
Base-Backbone interact. energy: -3.665
local terms energy: -241.404484
where:
bonds (distance) C4'-P energy: -36.532
bonds (distance) P-C4' energy: -46.908
flat angles C4'-P-C4' energy: -59.036
flat angles P-C4'-P energy: -39.235
tors. eta vs tors. theta energy: -59.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -735.020728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.020728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.020728 (E_RNA)
where:
Base-Base interactions energy: -511.780
where: short stacking energy: -206.942
Base-Backbone interact. energy: -0.134
local terms energy: -223.106982
where:
bonds (distance) C4'-P energy: -46.026
bonds (distance) P-C4' energy: -46.941
flat angles C4'-P-C4' energy: -40.971
flat angles P-C4'-P energy: -32.003
tors. eta vs tors. theta energy: -57.166
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: 10
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -546.418410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.418410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.418410 (E_RNA)
where:
Base-Base interactions energy: -364.156
where: short stacking energy: -160.206
Base-Backbone interact. energy: 1.013
local terms energy: -183.275595
where:
bonds (distance) C4'-P energy: -43.311
bonds (distance) P-C4' energy: -41.564
flat angles C4'-P-C4' energy: -38.955
flat angles P-C4'-P energy: -30.609
tors. eta vs tors. theta energy: -28.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -259.222142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.222142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.222142 (E_RNA)
where:
Base-Base interactions energy: -99.797
where: short stacking energy: -64.536
Base-Backbone interact. energy: -0.989
local terms energy: -158.436398
where:
bonds (distance) C4'-P energy: -34.916
bonds (distance) P-C4' energy: -52.054
flat angles C4'-P-C4' energy: -42.059
flat angles P-C4'-P energy: -29.320
tors. eta vs tors. theta energy: -0.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -235.685639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.685639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.685639 (E_RNA)
where:
Base-Base interactions energy: -88.916
where: short stacking energy: -70.265
Base-Backbone interact. energy: -0.500
local terms energy: -146.269713
where:
bonds (distance) C4'-P energy: -37.400
bonds (distance) P-C4' energy: -55.056
flat angles C4'-P-C4' energy: -37.551
flat angles P-C4'-P energy: -19.198
tors. eta vs tors. theta energy: 2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -954.113536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.113536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.113536 (E_RNA)
where:
Base-Base interactions energy: -673.385
where: short stacking energy: -262.252
Base-Backbone interact. energy: -1.119
local terms energy: -279.609160
where:
bonds (distance) C4'-P energy: -60.099
bonds (distance) P-C4' energy: -50.998
flat angles C4'-P-C4' energy: -58.426
flat angles P-C4'-P energy: -39.661
tors. eta vs tors. theta energy: -70.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -918.388732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.388732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.388732 (E_RNA)
where:
Base-Base interactions energy: -659.484
where: short stacking energy: -263.077
Base-Backbone interact. energy: 1.333
local terms energy: -260.238014
where:
bonds (distance) C4'-P energy: -56.635
bonds (distance) P-C4' energy: -41.451
flat angles C4'-P-C4' energy: -52.060
flat angles P-C4'-P energy: -40.765
tors. eta vs tors. theta energy: -69.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -878.317976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.317976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.317976 (E_RNA)
where:
Base-Base interactions energy: -625.112
where: short stacking energy: -229.867
Base-Backbone interact. energy: 0.793
local terms energy: -253.998503
where:
bonds (distance) C4'-P energy: -49.648
bonds (distance) P-C4' energy: -42.591
flat angles C4'-P-C4' energy: -55.024
flat angles P-C4'-P energy: -35.293
tors. eta vs tors. theta energy: -71.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -860.275151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.275151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.275151 (E_RNA)
where:
Base-Base interactions energy: -606.359
where: short stacking energy: -250.770
Base-Backbone interact. energy: 1.575
local terms energy: -255.491072
where:
bonds (distance) C4'-P energy: -38.997
bonds (distance) P-C4' energy: -50.073
flat angles C4'-P-C4' energy: -59.033
flat angles P-C4'-P energy: -35.771
tors. eta vs tors. theta energy: -71.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -801.139806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.139806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.139806 (E_RNA)
where:
Base-Base interactions energy: -548.619
where: short stacking energy: -234.960
Base-Backbone interact. energy: 1.179
local terms energy: -253.699191
where:
bonds (distance) C4'-P energy: -47.138
bonds (distance) P-C4' energy: -53.393
flat angles C4'-P-C4' energy: -43.946
flat angles P-C4'-P energy: -34.805
tors. eta vs tors. theta energy: -74.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -766.129791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.129791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.129791 (E_RNA)
where:
Base-Base interactions energy: -500.759
where: short stacking energy: -206.260
Base-Backbone interact. energy: -0.659
local terms energy: -264.711725
where:
bonds (distance) C4'-P energy: -49.442
bonds (distance) P-C4' energy: -56.213
flat angles C4'-P-C4' energy: -53.963
flat angles P-C4'-P energy: -39.984
tors. eta vs tors. theta energy: -65.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -690.046079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.046079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.046079 (E_RNA)
where:
Base-Base interactions energy: -468.133
where: short stacking energy: -185.724
Base-Backbone interact. energy: -0.970
local terms energy: -220.942603
where:
bonds (distance) C4'-P energy: -42.203
bonds (distance) P-C4' energy: -50.291
flat angles C4'-P-C4' energy: -55.285
flat angles P-C4'-P energy: -22.696
tors. eta vs tors. theta energy: -50.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -546.894024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.894024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.894024 (E_RNA)
where:
Base-Base interactions energy: -362.865
where: short stacking energy: -158.128
Base-Backbone interact. energy: -1.804
local terms energy: -182.224925
where:
bonds (distance) C4'-P energy: -46.654
bonds (distance) P-C4' energy: -46.365
flat angles C4'-P-C4' energy: -47.559
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -26.166
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: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -225.835362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.835362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.835362 (E_RNA)
where:
Base-Base interactions energy: -63.381
where: short stacking energy: -62.217
Base-Backbone interact. energy: -1.067
local terms energy: -161.387587
where:
bonds (distance) C4'-P energy: -47.918
bonds (distance) P-C4' energy: -51.265
flat angles C4'-P-C4' energy: -33.893
flat angles P-C4'-P energy: -31.891
tors. eta vs tors. theta energy: 3.580
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: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -253.320452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.320452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.320452 (E_RNA)
where:
Base-Base interactions energy: -84.327
where: short stacking energy: -79.596
Base-Backbone interact. energy: 0.166
local terms energy: -169.158932
where:
bonds (distance) C4'-P energy: -50.993
bonds (distance) P-C4' energy: -48.350
flat angles C4'-P-C4' energy: -40.564
flat angles P-C4'-P energy: -26.873
tors. eta vs tors. theta energy: -2.379
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: 118
Temperature: 0.900000
Total energy: -930.519166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.519166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.519166 (E_RNA)
where:
Base-Base interactions energy: -649.516
where: short stacking energy: -265.589
Base-Backbone interact. energy: -0.936
local terms energy: -280.067364
where:
bonds (distance) C4'-P energy: -56.230
bonds (distance) P-C4' energy: -45.013
flat angles C4'-P-C4' energy: -61.142
flat angles P-C4'-P energy: -39.616
tors. eta vs tors. theta energy: -78.067
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: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -908.949281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.949281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.949281 (E_RNA)
where:
Base-Base interactions energy: -638.467
where: short stacking energy: -251.012
Base-Backbone interact. energy: -2.354
local terms energy: -268.128648
where:
bonds (distance) C4'-P energy: -51.434
bonds (distance) P-C4' energy: -54.414
flat angles C4'-P-C4' energy: -60.726
flat angles P-C4'-P energy: -27.500
tors. eta vs tors. theta energy: -74.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -878.490483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.490483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.490483 (E_RNA)
where:
Base-Base interactions energy: -606.614
where: short stacking energy: -250.342
Base-Backbone interact. energy: -2.128
local terms energy: -269.748986
where:
bonds (distance) C4'-P energy: -59.412
bonds (distance) P-C4' energy: -44.007
flat angles C4'-P-C4' energy: -49.763
flat angles P-C4'-P energy: -45.445
tors. eta vs tors. theta energy: -71.122
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: 2
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -861.551619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.551619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.551619 (E_RNA)
where:
Base-Base interactions energy: -619.129
where: short stacking energy: -230.104
Base-Backbone interact. energy: -2.291
local terms energy: -240.131929
where:
bonds (distance) C4'-P energy: -46.149
bonds (distance) P-C4' energy: -46.364
flat angles C4'-P-C4' energy: -49.754
flat angles P-C4'-P energy: -36.364
tors. eta vs tors. theta energy: -61.500
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: 5, replica: 4
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -776.052913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.052913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.052913 (E_RNA)
where:
Base-Base interactions energy: -539.300
where: short stacking energy: -252.343
Base-Backbone interact. energy: -1.066
local terms energy: -235.686440
where:
bonds (distance) C4'-P energy: -37.703
bonds (distance) P-C4' energy: -46.286
flat angles C4'-P-C4' energy: -52.547
flat angles P-C4'-P energy: -33.647
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: 6, replica: 7
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -790.083495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.083495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.083495 (E_RNA)
where:
Base-Base interactions energy: -534.463
where: short stacking energy: -229.875
Base-Backbone interact. energy: 0.459
local terms energy: -256.079020
where:
bonds (distance) C4'-P energy: -50.363
bonds (distance) P-C4' energy: -50.157
flat angles C4'-P-C4' energy: -59.359
flat angles P-C4'-P energy: -31.950
tors. eta vs tors. theta energy: -64.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -699.364480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.364480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.364480 (E_RNA)
where:
Base-Base interactions energy: -468.143
where: short stacking energy: -192.520
Base-Backbone interact. energy: -2.632
local terms energy: -228.590278
where:
bonds (distance) C4'-P energy: -40.766
bonds (distance) P-C4' energy: -44.838
flat angles C4'-P-C4' energy: -53.131
flat angles P-C4'-P energy: -32.111
tors. eta vs tors. theta energy: -57.744
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: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -562.485975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.485975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.485975 (E_RNA)
where:
Base-Base interactions energy: -371.163
where: short stacking energy: -145.267
Base-Backbone interact. energy: -0.514
local terms energy: -190.809781
where:
bonds (distance) C4'-P energy: -48.800
bonds (distance) P-C4' energy: -49.640
flat angles C4'-P-C4' energy: -50.558
flat angles P-C4'-P energy: -23.737
tors. eta vs tors. theta energy: -18.075
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: 118
Temperature: 1.300000
Total energy: -296.192301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.192301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.192301 (E_RNA)
where:
Base-Base interactions energy: -152.008
where: short stacking energy: -88.437
Base-Backbone interact. energy: -0.718
local terms energy: -143.466473
where:
bonds (distance) C4'-P energy: -32.209
bonds (distance) P-C4' energy: -50.277
flat angles C4'-P-C4' energy: -32.270
flat angles P-C4'-P energy: -26.378
tors. eta vs tors. theta energy: -2.331
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: 118
Temperature: 1.350000
Total energy: -223.783063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.783063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.783063 (E_RNA)
where:
Base-Base interactions energy: -92.671
where: short stacking energy: -58.527
Base-Backbone interact. energy: 2.242
local terms energy: -133.354155
where:
bonds (distance) C4'-P energy: -37.388
bonds (distance) P-C4' energy: -46.877
flat angles C4'-P-C4' energy: -44.484
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: 8.547
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: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -960.669695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.669695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.669695 (E_RNA)
where:
Base-Base interactions energy: -662.730
where: short stacking energy: -263.430
Base-Backbone interact. energy: -0.071
local terms energy: -297.867888
where:
bonds (distance) C4'-P energy: -58.800
bonds (distance) P-C4' energy: -55.816
flat angles C4'-P-C4' energy: -61.477
flat angles P-C4'-P energy: -42.449
tors. eta vs tors. theta energy: -79.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -902.340686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.340686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.340686 (E_RNA)
where:
Base-Base interactions energy: -639.615
where: short stacking energy: -255.824
Base-Backbone interact. energy: -2.245
local terms energy: -260.480490
where:
bonds (distance) C4'-P energy: -44.663
bonds (distance) P-C4' energy: -51.363
flat angles C4'-P-C4' energy: -57.625
flat angles P-C4'-P energy: -33.330
tors. eta vs tors. theta energy: -73.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -852.111348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.111348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.111348 (E_RNA)
where:
Base-Base interactions energy: -585.323
where: short stacking energy: -240.448
Base-Backbone interact. energy: -2.912
local terms energy: -263.876367
where:
bonds (distance) C4'-P energy: -49.095
bonds (distance) P-C4' energy: -51.662
flat angles C4'-P-C4' energy: -56.982
flat angles P-C4'-P energy: -39.273
tors. eta vs tors. theta energy: -66.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -867.611400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.611400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.611400 (E_RNA)
where:
Base-Base interactions energy: -620.246
where: short stacking energy: -240.296
Base-Backbone interact. energy: -2.334
local terms energy: -245.031106
where:
bonds (distance) C4'-P energy: -38.583
bonds (distance) P-C4' energy: -46.770
flat angles C4'-P-C4' energy: -57.608
flat angles P-C4'-P energy: -38.355
tors. eta vs tors. theta energy: -63.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -770.315173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.315173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.315173 (E_RNA)
where:
Base-Base interactions energy: -523.116
where: short stacking energy: -237.884
Base-Backbone interact. energy: -0.367
local terms energy: -246.832176
where:
bonds (distance) C4'-P energy: -52.814
bonds (distance) P-C4' energy: -41.285
flat angles C4'-P-C4' energy: -51.390
flat angles P-C4'-P energy: -33.004
tors. eta vs tors. theta energy: -68.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -802.224281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.224281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.224281 (E_RNA)
where:
Base-Base interactions energy: -555.810
where: short stacking energy: -240.432
Base-Backbone interact. energy: -2.334
local terms energy: -244.080239
where:
bonds (distance) C4'-P energy: -45.172
bonds (distance) P-C4' energy: -51.762
flat angles C4'-P-C4' energy: -52.593
flat angles P-C4'-P energy: -29.225
tors. eta vs tors. theta energy: -65.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -689.737957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.737957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.737957 (E_RNA)
where:
Base-Base interactions energy: -464.580
where: short stacking energy: -179.966
Base-Backbone interact. energy: -0.071
local terms energy: -225.086345
where:
bonds (distance) C4'-P energy: -45.217
bonds (distance) P-C4' energy: -41.920
flat angles C4'-P-C4' energy: -54.965
flat angles P-C4'-P energy: -39.528
tors. eta vs tors. theta energy: -43.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -545.641248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.641248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.641248 (E_RNA)
where:
Base-Base interactions energy: -372.476
where: short stacking energy: -145.779
Base-Backbone interact. energy: -1.951
local terms energy: -171.214486
where:
bonds (distance) C4'-P energy: -32.321
bonds (distance) P-C4' energy: -51.053
flat angles C4'-P-C4' energy: -52.181
flat angles P-C4'-P energy: -29.317
tors. eta vs tors. theta energy: -6.343
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: 119
Temperature: 1.300000
Total energy: -344.110506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.110506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.110506 (E_RNA)
where:
Base-Base interactions energy: -156.890
where: short stacking energy: -99.837
Base-Backbone interact. energy: -1.295
local terms energy: -185.926165
where:
bonds (distance) C4'-P energy: -52.793
bonds (distance) P-C4' energy: -43.607
flat angles C4'-P-C4' energy: -49.367
flat angles P-C4'-P energy: -24.334
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -230.278097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.278097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.278097 (E_RNA)
where:
Base-Base interactions energy: -59.396
where: short stacking energy: -55.692
Base-Backbone interact. energy: -1.082
local terms energy: -169.799782
where:
bonds (distance) C4'-P energy: -53.514
bonds (distance) P-C4' energy: -52.501
flat angles C4'-P-C4' energy: -45.060
flat angles P-C4'-P energy: -21.127
tors. eta vs tors. theta energy: 2.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -928.440977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.440977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.440977 (E_RNA)
where:
Base-Base interactions energy: -635.722
where: short stacking energy: -256.124
Base-Backbone interact. energy: -1.182
local terms energy: -291.536579
where:
bonds (distance) C4'-P energy: -51.775
bonds (distance) P-C4' energy: -57.188
flat angles C4'-P-C4' energy: -63.781
flat angles P-C4'-P energy: -36.875
tors. eta vs tors. theta energy: -81.917
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: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -932.071663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.071663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.071663 (E_RNA)
where:
Base-Base interactions energy: -656.341
where: short stacking energy: -274.255
Base-Backbone interact. energy: -0.887
local terms energy: -274.843766
where:
bonds (distance) C4'-P energy: -47.694
bonds (distance) P-C4' energy: -53.145
flat angles C4'-P-C4' energy: -55.628
flat angles P-C4'-P energy: -37.736
tors. eta vs tors. theta energy: -80.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -860.984315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.984315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.984315 (E_RNA)
where:
Base-Base interactions energy: -592.459
where: short stacking energy: -240.421
Base-Backbone interact. energy: -0.526
local terms energy: -267.999821
where:
bonds (distance) C4'-P energy: -54.112
bonds (distance) P-C4' energy: -50.024
flat angles C4'-P-C4' energy: -56.036
flat angles P-C4'-P energy: -34.736
tors. eta vs tors. theta energy: -73.091
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: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -848.682629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.682629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.682629 (E_RNA)
where:
Base-Base interactions energy: -589.409
where: short stacking energy: -242.763
Base-Backbone interact. energy: -2.509
local terms energy: -256.764288
where:
bonds (distance) C4'-P energy: -46.220
bonds (distance) P-C4' energy: -55.714
flat angles C4'-P-C4' energy: -56.290
flat angles P-C4'-P energy: -34.121
tors. eta vs tors. theta energy: -64.420
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: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -782.045339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.045339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.045339 (E_RNA)
where:
Base-Base interactions energy: -520.438
where: short stacking energy: -214.598
Base-Backbone interact. energy: -1.829
local terms energy: -259.778182
where:
bonds (distance) C4'-P energy: -55.210
bonds (distance) P-C4' energy: -46.865
flat angles C4'-P-C4' energy: -58.451
flat angles P-C4'-P energy: -31.473
tors. eta vs tors. theta energy: -67.779
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: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -776.623268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.623268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.623268 (E_RNA)
where:
Base-Base interactions energy: -527.586
where: short stacking energy: -228.934
Base-Backbone interact. energy: -2.163
local terms energy: -246.873666
where:
bonds (distance) C4'-P energy: -35.826
bonds (distance) P-C4' energy: -54.075
flat angles C4'-P-C4' energy: -54.779
flat angles P-C4'-P energy: -36.991
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: 7, replica: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -706.045173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.045173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.045173 (E_RNA)
where:
Base-Base interactions energy: -486.083
where: short stacking energy: -193.128
Base-Backbone interact. energy: -1.593
local terms energy: -218.369502
where:
bonds (distance) C4'-P energy: -40.781
bonds (distance) P-C4' energy: -49.506
flat angles C4'-P-C4' energy: -49.099
flat angles P-C4'-P energy: -28.207
tors. eta vs tors. theta energy: -50.777
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: 10
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -599.411059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.411059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.411059 (E_RNA)
where:
Base-Base interactions energy: -409.651
where: short stacking energy: -166.384
Base-Backbone interact. energy: -1.088
local terms energy: -188.671584
where:
bonds (distance) C4'-P energy: -26.643
bonds (distance) P-C4' energy: -41.722
flat angles C4'-P-C4' energy: -49.549
flat angles P-C4'-P energy: -35.323
tors. eta vs tors. theta energy: -35.434
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: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -317.457039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.457039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.457039 (E_RNA)
where:
Base-Base interactions energy: -145.771
where: short stacking energy: -90.806
Base-Backbone interact. energy: 0.194
local terms energy: -171.880117
where:
bonds (distance) C4'-P energy: -46.068
bonds (distance) P-C4' energy: -39.906
flat angles C4'-P-C4' energy: -50.019
flat angles P-C4'-P energy: -24.257
tors. eta vs tors. theta energy: -11.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -234.205971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.205971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.205971 (E_RNA)
where:
Base-Base interactions energy: -98.512
where: short stacking energy: -86.487
Base-Backbone interact. energy: 1.715
local terms energy: -137.409235
where:
bonds (distance) C4'-P energy: -39.841
bonds (distance) P-C4' energy: -46.645
flat angles C4'-P-C4' energy: -38.544
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: 4.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -944.512567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.512567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.512567 (E_RNA)
where:
Base-Base interactions energy: -666.552
where: short stacking energy: -269.163
Base-Backbone interact. energy: -3.537
local terms energy: -274.423695
where:
bonds (distance) C4'-P energy: -45.987
bonds (distance) P-C4' energy: -52.207
flat angles C4'-P-C4' energy: -64.509
flat angles P-C4'-P energy: -34.312
tors. eta vs tors. theta energy: -77.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -930.095777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.095777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.095777 (E_RNA)
where:
Base-Base interactions energy: -666.866
where: short stacking energy: -260.846
Base-Backbone interact. energy: 1.222
local terms energy: -264.451695
where:
bonds (distance) C4'-P energy: -53.434
bonds (distance) P-C4' energy: -49.622
flat angles C4'-P-C4' energy: -57.894
flat angles P-C4'-P energy: -36.520
tors. eta vs tors. theta energy: -66.982
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: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -858.577396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.577396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.577396 (E_RNA)
where:
Base-Base interactions energy: -581.815
where: short stacking energy: -246.861
Base-Backbone interact. energy: 1.517
local terms energy: -278.279516
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -50.209
flat angles C4'-P-C4' energy: -60.519
flat angles P-C4'-P energy: -39.490
tors. eta vs tors. theta energy: -77.562
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: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -836.609955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.609955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.609955 (E_RNA)
where:
Base-Base interactions energy: -560.908
where: short stacking energy: -232.144
Base-Backbone interact. energy: -0.752
local terms energy: -274.950215
where:
bonds (distance) C4'-P energy: -44.908
bonds (distance) P-C4' energy: -56.931
flat angles C4'-P-C4' energy: -51.980
flat angles P-C4'-P energy: -44.179
tors. eta vs tors. theta energy: -76.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -827.402729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.402729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.402729 (E_RNA)
where:
Base-Base interactions energy: -587.873
where: short stacking energy: -239.697
Base-Backbone interact. energy: -1.119
local terms energy: -238.411409
where:
bonds (distance) C4'-P energy: -44.630
bonds (distance) P-C4' energy: -51.516
flat angles C4'-P-C4' energy: -44.811
flat angles P-C4'-P energy: -33.217
tors. eta vs tors. theta energy: -64.237
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: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -766.886810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.886810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.886810 (E_RNA)
where:
Base-Base interactions energy: -528.702
where: short stacking energy: -213.459
Base-Backbone interact. energy: -1.697
local terms energy: -236.488344
where:
bonds (distance) C4'-P energy: -45.778
bonds (distance) P-C4' energy: -36.326
flat angles C4'-P-C4' energy: -55.939
flat angles P-C4'-P energy: -34.752
tors. eta vs tors. theta energy: -63.693
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: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -707.209124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.209124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.209124 (E_RNA)
where:
Base-Base interactions energy: -463.333
where: short stacking energy: -191.924
Base-Backbone interact. energy: -1.846
local terms energy: -242.030492
where:
bonds (distance) C4'-P energy: -53.925
bonds (distance) P-C4' energy: -34.739
flat angles C4'-P-C4' energy: -59.654
flat angles P-C4'-P energy: -34.735
tors. eta vs tors. theta energy: -58.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -568.639992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.639992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.639992 (E_RNA)
where:
Base-Base interactions energy: -376.508
where: short stacking energy: -150.614
Base-Backbone interact. energy: 1.439
local terms energy: -193.571055
where:
bonds (distance) C4'-P energy: -42.866
bonds (distance) P-C4' energy: -41.533
flat angles C4'-P-C4' energy: -50.950
flat angles P-C4'-P energy: -32.775
tors. eta vs tors. theta energy: -25.447
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: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -307.200993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.200993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.200993 (E_RNA)
where:
Base-Base interactions energy: -151.396
where: short stacking energy: -90.325
Base-Backbone interact. energy: 0.080
local terms energy: -155.884961
where:
bonds (distance) C4'-P energy: -38.607
bonds (distance) P-C4' energy: -45.798
flat angles C4'-P-C4' energy: -39.146
flat angles P-C4'-P energy: -25.673
tors. eta vs tors. theta energy: -6.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -244.079416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.079416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.079416 (E_RNA)
where:
Base-Base interactions energy: -72.741
where: short stacking energy: -69.369
Base-Backbone interact. energy: -0.405
local terms energy: -170.933933
where:
bonds (distance) C4'-P energy: -53.507
bonds (distance) P-C4' energy: -46.283
flat angles C4'-P-C4' energy: -36.086
flat angles P-C4'-P energy: -30.251
tors. eta vs tors. theta energy: -4.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -958.731657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.731657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.731657 (E_RNA)
where:
Base-Base interactions energy: -688.617
where: short stacking energy: -257.887
Base-Backbone interact. energy: -1.733
local terms energy: -268.381602
where:
bonds (distance) C4'-P energy: -47.155
bonds (distance) P-C4' energy: -52.509
flat angles C4'-P-C4' energy: -57.359
flat angles P-C4'-P energy: -35.597
tors. eta vs tors. theta energy: -75.762
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: 2, replica: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -910.846268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.846268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.846268 (E_RNA)
where:
Base-Base interactions energy: -639.715
where: short stacking energy: -246.005
Base-Backbone interact. energy: 0.140
local terms energy: -271.271284
where:
bonds (distance) C4'-P energy: -49.937
bonds (distance) P-C4' energy: -57.699
flat angles C4'-P-C4' energy: -55.503
flat angles P-C4'-P energy: -36.779
tors. eta vs tors. theta energy: -71.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -834.665815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.665815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.665815 (E_RNA)
where:
Base-Base interactions energy: -568.120
where: short stacking energy: -235.395
Base-Backbone interact. energy: -2.118
local terms energy: -264.427730
where:
bonds (distance) C4'-P energy: -52.260
bonds (distance) P-C4' energy: -48.663
flat angles C4'-P-C4' energy: -53.298
flat angles P-C4'-P energy: -41.396
tors. eta vs tors. theta energy: -68.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -826.797327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.797327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.797327 (E_RNA)
where:
Base-Base interactions energy: -555.994
where: short stacking energy: -234.694
Base-Backbone interact. energy: -0.692
local terms energy: -270.110805
where:
bonds (distance) C4'-P energy: -46.527
bonds (distance) P-C4' energy: -48.130
flat angles C4'-P-C4' energy: -56.564
flat angles P-C4'-P energy: -41.583
tors. eta vs tors. theta energy: -77.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -864.699458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.699458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.699458 (E_RNA)
where:
Base-Base interactions energy: -628.065
where: short stacking energy: -242.451
Base-Backbone interact. energy: -0.510
local terms energy: -236.124338
where:
bonds (distance) C4'-P energy: -39.930
bonds (distance) P-C4' energy: -42.531
flat angles C4'-P-C4' energy: -53.241
flat angles P-C4'-P energy: -32.595
tors. eta vs tors. theta energy: -67.826
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: 122
Temperature: 1.150000
Total energy: -752.472190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.472190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.472190 (E_RNA)
where:
Base-Base interactions energy: -505.852
where: short stacking energy: -206.710
Base-Backbone interact. energy: 4.005
local terms energy: -250.625986
where:
bonds (distance) C4'-P energy: -41.661
bonds (distance) P-C4' energy: -56.642
flat angles C4'-P-C4' energy: -50.192
flat angles P-C4'-P energy: -41.298
tors. eta vs tors. theta energy: -60.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -741.303713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.303713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.303713 (E_RNA)
where:
Base-Base interactions energy: -500.679
where: short stacking energy: -210.741
Base-Backbone interact. energy: -1.254
local terms energy: -239.371295
where:
bonds (distance) C4'-P energy: -35.517
bonds (distance) P-C4' energy: -45.896
flat angles C4'-P-C4' energy: -54.833
flat angles P-C4'-P energy: -42.342
tors. eta vs tors. theta energy: -60.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -543.630982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.630982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.630982 (E_RNA)
where:
Base-Base interactions energy: -339.041
where: short stacking energy: -153.811
Base-Backbone interact. energy: 3.097
local terms energy: -207.687164
where:
bonds (distance) C4'-P energy: -43.325
bonds (distance) P-C4' energy: -45.900
flat angles C4'-P-C4' energy: -51.790
flat angles P-C4'-P energy: -39.261
tors. eta vs tors. theta energy: -27.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -336.940922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.940922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.940922 (E_RNA)
where:
Base-Base interactions energy: -161.779
where: short stacking energy: -96.735
Base-Backbone interact. energy: -1.269
local terms energy: -173.893346
where:
bonds (distance) C4'-P energy: -39.132
bonds (distance) P-C4' energy: -33.828
flat angles C4'-P-C4' energy: -53.937
flat angles P-C4'-P energy: -30.512
tors. eta vs tors. theta energy: -16.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -213.004482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.004482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.004482 (E_RNA)
where:
Base-Base interactions energy: -84.510
where: short stacking energy: -79.605
Base-Backbone interact. energy: -0.481
local terms energy: -128.013307
where:
bonds (distance) C4'-P energy: -44.678
bonds (distance) P-C4' energy: -48.106
flat angles C4'-P-C4' energy: -31.342
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: 5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -956.084617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.084617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.084617 (E_RNA)
where:
Base-Base interactions energy: -670.348
where: short stacking energy: -276.748
Base-Backbone interact. energy: -0.375
local terms energy: -285.361061
where:
bonds (distance) C4'-P energy: -58.592
bonds (distance) P-C4' energy: -42.648
flat angles C4'-P-C4' energy: -61.189
flat angles P-C4'-P energy: -43.994
tors. eta vs tors. theta energy: -78.937
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: 5
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -926.939345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.939345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.939345 (E_RNA)
where:
Base-Base interactions energy: -650.033
where: short stacking energy: -263.822
Base-Backbone interact. energy: -2.436
local terms energy: -274.470253
where:
bonds (distance) C4'-P energy: -47.010
bonds (distance) P-C4' energy: -56.298
flat angles C4'-P-C4' energy: -60.831
flat angles P-C4'-P energy: -35.740
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: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -863.137234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.137234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.137234 (E_RNA)
where:
Base-Base interactions energy: -604.759
where: short stacking energy: -250.999
Base-Backbone interact. energy: -2.427
local terms energy: -255.950958
where:
bonds (distance) C4'-P energy: -45.643
bonds (distance) P-C4' energy: -47.593
flat angles C4'-P-C4' energy: -54.188
flat angles P-C4'-P energy: -39.148
tors. eta vs tors. theta energy: -69.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -895.761953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.761953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.761953 (E_RNA)
where:
Base-Base interactions energy: -616.485
where: short stacking energy: -245.679
Base-Backbone interact. energy: -0.895
local terms energy: -278.381991
where:
bonds (distance) C4'-P energy: -52.511
bonds (distance) P-C4' energy: -57.402
flat angles C4'-P-C4' energy: -63.458
flat angles P-C4'-P energy: -27.415
tors. eta vs tors. theta energy: -77.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -811.739469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.739469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.739469 (E_RNA)
where:
Base-Base interactions energy: -546.237
where: short stacking energy: -234.771
Base-Backbone interact. energy: -1.971
local terms energy: -263.531224
where:
bonds (distance) C4'-P energy: -51.333
bonds (distance) P-C4' energy: -50.682
flat angles C4'-P-C4' energy: -53.996
flat angles P-C4'-P energy: -31.968
tors. eta vs tors. theta energy: -75.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -762.609136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.609136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.609136 (E_RNA)
where:
Base-Base interactions energy: -523.821
where: short stacking energy: -218.513
Base-Backbone interact. energy: -0.838
local terms energy: -237.950037
where:
bonds (distance) C4'-P energy: -44.993
bonds (distance) P-C4' energy: -46.286
flat angles C4'-P-C4' energy: -57.108
flat angles P-C4'-P energy: -25.323
tors. eta vs tors. theta energy: -64.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -749.485710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.485710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.485710 (E_RNA)
where:
Base-Base interactions energy: -484.438
where: short stacking energy: -223.066
Base-Backbone interact. energy: -0.901
local terms energy: -264.147543
where:
bonds (distance) C4'-P energy: -48.659
bonds (distance) P-C4' energy: -52.097
flat angles C4'-P-C4' energy: -61.347
flat angles P-C4'-P energy: -23.332
tors. eta vs tors. theta energy: -78.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -534.226553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.226553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.226553 (E_RNA)
where:
Base-Base interactions energy: -327.752
where: short stacking energy: -140.325
Base-Backbone interact. energy: -0.649
local terms energy: -205.825507
where:
bonds (distance) C4'-P energy: -46.473
bonds (distance) P-C4' energy: -47.248
flat angles C4'-P-C4' energy: -43.051
flat angles P-C4'-P energy: -42.417
tors. eta vs tors. theta energy: -26.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -310.196119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.196119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.196119 (E_RNA)
where:
Base-Base interactions energy: -157.069
where: short stacking energy: -84.149
Base-Backbone interact. energy: -1.212
local terms energy: -151.915145
where:
bonds (distance) C4'-P energy: -50.406
bonds (distance) P-C4' energy: -47.598
flat angles C4'-P-C4' energy: -30.213
flat angles P-C4'-P energy: -25.349
tors. eta vs tors. theta energy: 1.651
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: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -237.491145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.491145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.491145 (E_RNA)
where:
Base-Base interactions energy: -79.427
where: short stacking energy: -79.613
Base-Backbone interact. energy: -1.218
local terms energy: -156.846878
where:
bonds (distance) C4'-P energy: -45.554
bonds (distance) P-C4' energy: -40.187
flat angles C4'-P-C4' energy: -36.979
flat angles P-C4'-P energy: -28.729
tors. eta vs tors. theta energy: -5.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -977.040522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.040522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.040522 (E_RNA)
where:
Base-Base interactions energy: -690.543
where: short stacking energy: -277.169
Base-Backbone interact. energy: -2.894
local terms energy: -283.604021
where:
bonds (distance) C4'-P energy: -50.173
bonds (distance) P-C4' energy: -54.757
flat angles C4'-P-C4' energy: -65.190
flat angles P-C4'-P energy: -36.982
tors. eta vs tors. theta energy: -76.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -900.789512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.789512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.789512 (E_RNA)
where:
Base-Base interactions energy: -625.786
where: short stacking energy: -260.326
Base-Backbone interact. energy: -0.659
local terms energy: -274.344429
where:
bonds (distance) C4'-P energy: -48.953
bonds (distance) P-C4' energy: -53.963
flat angles C4'-P-C4' energy: -60.274
flat angles P-C4'-P energy: -39.364
tors. eta vs tors. theta energy: -71.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -892.730499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.730499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.730499 (E_RNA)
where:
Base-Base interactions energy: -618.914
where: short stacking energy: -243.079
Base-Backbone interact. energy: -2.953
local terms energy: -270.863989
where:
bonds (distance) C4'-P energy: -56.524
bonds (distance) P-C4' energy: -47.172
flat angles C4'-P-C4' energy: -57.400
flat angles P-C4'-P energy: -39.810
tors. eta vs tors. theta energy: -69.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -844.078933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.078933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.078933 (E_RNA)
where:
Base-Base interactions energy: -588.647
where: short stacking energy: -223.497
Base-Backbone interact. energy: -2.001
local terms energy: -253.431054
where:
bonds (distance) C4'-P energy: -51.481
bonds (distance) P-C4' energy: -55.072
flat angles C4'-P-C4' energy: -53.671
flat angles P-C4'-P energy: -35.846
tors. eta vs tors. theta energy: -57.362
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: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -796.620403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.620403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.620403 (E_RNA)
where:
Base-Base interactions energy: -558.430
where: short stacking energy: -226.995
Base-Backbone interact. energy: -1.641
local terms energy: -236.549401
where:
bonds (distance) C4'-P energy: -39.083
bonds (distance) P-C4' energy: -45.019
flat angles C4'-P-C4' energy: -57.257
flat angles P-C4'-P energy: -26.900
tors. eta vs tors. theta energy: -68.291
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: 6, replica: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -777.226065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.226065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.226065 (E_RNA)
where:
Base-Base interactions energy: -520.227
where: short stacking energy: -214.990
Base-Backbone interact. energy: 0.000
local terms energy: -256.999342
where:
bonds (distance) C4'-P energy: -47.199
bonds (distance) P-C4' energy: -53.298
flat angles C4'-P-C4' energy: -52.021
flat angles P-C4'-P energy: -38.421
tors. eta vs tors. theta energy: -66.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -759.554294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.554294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.554294 (E_RNA)
where:
Base-Base interactions energy: -518.776
where: short stacking energy: -210.565
Base-Backbone interact. energy: -1.430
local terms energy: -239.347755
where:
bonds (distance) C4'-P energy: -40.618
bonds (distance) P-C4' energy: -48.613
flat angles C4'-P-C4' energy: -55.370
flat angles P-C4'-P energy: -32.926
tors. eta vs tors. theta energy: -61.821
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: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -604.092848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.092848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.092848 (E_RNA)
where:
Base-Base interactions energy: -400.482
where: short stacking energy: -180.153
Base-Backbone interact. energy: 0.208
local terms energy: -203.819482
where:
bonds (distance) C4'-P energy: -48.335
bonds (distance) P-C4' energy: -42.749
flat angles C4'-P-C4' energy: -39.678
flat angles P-C4'-P energy: -35.234
tors. eta vs tors. theta energy: -37.823
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: 124
Temperature: 1.300000
Total energy: -320.165229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.165229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.165229 (E_RNA)
where:
Base-Base interactions energy: -158.643
where: short stacking energy: -88.248
Base-Backbone interact. energy: -0.985
local terms energy: -160.537005
where:
bonds (distance) C4'-P energy: -48.679
bonds (distance) P-C4' energy: -46.250
flat angles C4'-P-C4' energy: -42.560
flat angles P-C4'-P energy: -22.458
tors. eta vs tors. theta energy: -0.590
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: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -218.784401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.784401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.784401 (E_RNA)
where:
Base-Base interactions energy: -70.566
where: short stacking energy: -62.704
Base-Backbone interact. energy: 0.932
local terms energy: -149.150538
where:
bonds (distance) C4'-P energy: -53.000
bonds (distance) P-C4' energy: -40.955
flat angles C4'-P-C4' energy: -35.427
flat angles P-C4'-P energy: -24.734
tors. eta vs tors. theta energy: 4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -961.345123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.345123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.345123 (E_RNA)
where:
Base-Base interactions energy: -673.039
where: short stacking energy: -264.562
Base-Backbone interact. energy: -0.115
local terms energy: -288.190731
where:
bonds (distance) C4'-P energy: -58.052
bonds (distance) P-C4' energy: -59.232
flat angles C4'-P-C4' energy: -55.143
flat angles P-C4'-P energy: -39.111
tors. eta vs tors. theta energy: -76.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -923.951571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.951571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.951571 (E_RNA)
where:
Base-Base interactions energy: -635.150
where: short stacking energy: -264.151
Base-Backbone interact. energy: -2.480
local terms energy: -286.321113
where:
bonds (distance) C4'-P energy: -55.786
bonds (distance) P-C4' energy: -56.335
flat angles C4'-P-C4' energy: -57.026
flat angles P-C4'-P energy: -40.458
tors. eta vs tors. theta energy: -76.716
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: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -885.243782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.243782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.243782 (E_RNA)
where:
Base-Base interactions energy: -609.123
where: short stacking energy: -244.813
Base-Backbone interact. energy: -1.444
local terms energy: -274.677253
where:
bonds (distance) C4'-P energy: -36.972
bonds (distance) P-C4' energy: -57.341
flat angles C4'-P-C4' energy: -65.403
flat angles P-C4'-P energy: -45.209
tors. eta vs tors. theta energy: -69.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -841.857997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.857997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.857997 (E_RNA)
where:
Base-Base interactions energy: -579.001
where: short stacking energy: -247.903
Base-Backbone interact. energy: -2.417
local terms energy: -260.440671
where:
bonds (distance) C4'-P energy: -56.147
bonds (distance) P-C4' energy: -46.279
flat angles C4'-P-C4' energy: -49.026
flat angles P-C4'-P energy: -38.453
tors. eta vs tors. theta energy: -70.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -768.710294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.710294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.710294 (E_RNA)
where:
Base-Base interactions energy: -522.820
where: short stacking energy: -234.327
Base-Backbone interact. energy: -1.902
local terms energy: -243.987972
where:
bonds (distance) C4'-P energy: -40.062
bonds (distance) P-C4' energy: -48.893
flat angles C4'-P-C4' energy: -58.240
flat angles P-C4'-P energy: -31.359
tors. eta vs tors. theta energy: -65.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -778.780858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.780858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.780858 (E_RNA)
where:
Base-Base interactions energy: -526.138
where: short stacking energy: -223.286
Base-Backbone interact. energy: -0.226
local terms energy: -252.416788
where:
bonds (distance) C4'-P energy: -48.216
bonds (distance) P-C4' energy: -51.350
flat angles C4'-P-C4' energy: -44.754
flat angles P-C4'-P energy: -38.891
tors. eta vs tors. theta energy: -69.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -741.217974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.217974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.217974 (E_RNA)
where:
Base-Base interactions energy: -502.318
where: short stacking energy: -208.011
Base-Backbone interact. energy: -0.647
local terms energy: -238.253141
where:
bonds (distance) C4'-P energy: -45.484
bonds (distance) P-C4' energy: -37.460
flat angles C4'-P-C4' energy: -43.079
flat angles P-C4'-P energy: -43.619
tors. eta vs tors. theta energy: -68.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -579.933652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.933652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.933652 (E_RNA)
where:
Base-Base interactions energy: -368.317
where: short stacking energy: -164.422
Base-Backbone interact. energy: 0.803
local terms energy: -212.419916
where:
bonds (distance) C4'-P energy: -46.510
bonds (distance) P-C4' energy: -47.924
flat angles C4'-P-C4' energy: -52.118
flat angles P-C4'-P energy: -32.516
tors. eta vs tors. theta energy: -33.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -363.442433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.442433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.442433 (E_RNA)
where:
Base-Base interactions energy: -202.890
where: short stacking energy: -105.269
Base-Backbone interact. energy: -1.395
local terms energy: -159.157147
where:
bonds (distance) C4'-P energy: -42.105
bonds (distance) P-C4' energy: -51.150
flat angles C4'-P-C4' energy: -40.145
flat angles P-C4'-P energy: -20.888
tors. eta vs tors. theta energy: -4.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -225.425169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.425169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.425169 (E_RNA)
where:
Base-Base interactions energy: -74.239
where: short stacking energy: -72.887
Base-Backbone interact. energy: 5.830
local terms energy: -157.016524
where:
bonds (distance) C4'-P energy: -40.782
bonds (distance) P-C4' energy: -49.192
flat angles C4'-P-C4' energy: -32.246
flat angles P-C4'-P energy: -29.893
tors. eta vs tors. theta energy: -4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -925.930130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.930130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.930130 (E_RNA)
where:
Base-Base interactions energy: -650.518
where: short stacking energy: -259.486
Base-Backbone interact. energy: -2.702
local terms energy: -272.709319
where:
bonds (distance) C4'-P energy: -41.881
bonds (distance) P-C4' energy: -55.076
flat angles C4'-P-C4' energy: -57.593
flat angles P-C4'-P energy: -42.382
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: 126
Temperature: 0.950000
Total energy: -952.262902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.262902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.262902 (E_RNA)
where:
Base-Base interactions energy: -686.187
where: short stacking energy: -262.166
Base-Backbone interact. energy: 0.524
local terms energy: -266.600035
where:
bonds (distance) C4'-P energy: -41.547
bonds (distance) P-C4' energy: -56.064
flat angles C4'-P-C4' energy: -57.431
flat angles P-C4'-P energy: -39.916
tors. eta vs tors. theta energy: -71.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -892.503479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.503479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.503479 (E_RNA)
where:
Base-Base interactions energy: -628.734
where: short stacking energy: -256.853
Base-Backbone interact. energy: -1.827
local terms energy: -261.942547
where:
bonds (distance) C4'-P energy: -39.348
bonds (distance) P-C4' energy: -54.674
flat angles C4'-P-C4' energy: -55.449
flat angles P-C4'-P energy: -43.400
tors. eta vs tors. theta energy: -69.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -857.583145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.583145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.583145 (E_RNA)
where:
Base-Base interactions energy: -592.416
where: short stacking energy: -244.316
Base-Backbone interact. energy: 0.742
local terms energy: -265.908420
where:
bonds (distance) C4'-P energy: -47.822
bonds (distance) P-C4' energy: -52.401
flat angles C4'-P-C4' energy: -64.933
flat angles P-C4'-P energy: -36.504
tors. eta vs tors. theta energy: -64.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -840.228987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.228987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.228987 (E_RNA)
where:
Base-Base interactions energy: -571.480
where: short stacking energy: -245.277
Base-Backbone interact. energy: -1.618
local terms energy: -267.131475
where:
bonds (distance) C4'-P energy: -52.093
bonds (distance) P-C4' energy: -45.735
flat angles C4'-P-C4' energy: -60.392
flat angles P-C4'-P energy: -42.933
tors. eta vs tors. theta energy: -65.978
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: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -750.571862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.571862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.571862 (E_RNA)
where:
Base-Base interactions energy: -505.526
where: short stacking energy: -206.235
Base-Backbone interact. energy: -1.496
local terms energy: -243.549394
where:
bonds (distance) C4'-P energy: -43.395
bonds (distance) P-C4' energy: -52.402
flat angles C4'-P-C4' energy: -59.265
flat angles P-C4'-P energy: -34.289
tors. eta vs tors. theta energy: -54.198
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: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -734.073134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.073134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.073134 (E_RNA)
where:
Base-Base interactions energy: -501.013
where: short stacking energy: -223.242
Base-Backbone interact. energy: -0.791
local terms energy: -232.268859
where:
bonds (distance) C4'-P energy: -45.030
bonds (distance) P-C4' energy: -58.347
flat angles C4'-P-C4' energy: -45.279
flat angles P-C4'-P energy: -23.262
tors. eta vs tors. theta energy: -60.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -585.483635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.483635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.483635 (E_RNA)
where:
Base-Base interactions energy: -369.366
where: short stacking energy: -163.299
Base-Backbone interact. energy: 0.056
local terms energy: -216.173395
where:
bonds (distance) C4'-P energy: -50.263
bonds (distance) P-C4' energy: -47.476
flat angles C4'-P-C4' energy: -47.172
flat angles P-C4'-P energy: -36.124
tors. eta vs tors. theta energy: -35.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -383.744773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.744773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.744773 (E_RNA)
where:
Base-Base interactions energy: -216.537
where: short stacking energy: -123.493
Base-Backbone interact. energy: -1.837
local terms energy: -165.370758
where:
bonds (distance) C4'-P energy: -46.374
bonds (distance) P-C4' energy: -40.174
flat angles C4'-P-C4' energy: -42.427
flat angles P-C4'-P energy: -19.643
tors. eta vs tors. theta energy: -16.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -228.285974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.285974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.285974 (E_RNA)
where:
Base-Base interactions energy: -74.144
where: short stacking energy: -69.567
Base-Backbone interact. energy: 0.155
local terms energy: -154.296832
where:
bonds (distance) C4'-P energy: -42.845
bonds (distance) P-C4' energy: -41.946
flat angles C4'-P-C4' energy: -45.628
flat angles P-C4'-P energy: -20.330
tors. eta vs tors. theta energy: -3.548
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: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -908.017590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.017590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.017590 (E_RNA)
where:
Base-Base interactions energy: -626.346
where: short stacking energy: -238.006
Base-Backbone interact. energy: -0.931
local terms energy: -280.740919
where:
bonds (distance) C4'-P energy: -54.478
bonds (distance) P-C4' energy: -61.371
flat angles C4'-P-C4' energy: -54.140
flat angles P-C4'-P energy: -39.420
tors. eta vs tors. theta energy: -71.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -956.701332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.701332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.701332 (E_RNA)
where:
Base-Base interactions energy: -667.811
where: short stacking energy: -266.301
Base-Backbone interact. energy: -1.756
local terms energy: -287.134636
where:
bonds (distance) C4'-P energy: -51.356
bonds (distance) P-C4' energy: -62.043
flat angles C4'-P-C4' energy: -56.850
flat angles P-C4'-P energy: -38.069
tors. eta vs tors. theta energy: -78.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -891.406396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.406396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.406396 (E_RNA)
where:
Base-Base interactions energy: -632.990
where: short stacking energy: -255.928
Base-Backbone interact. energy: -2.206
local terms energy: -256.209918
where:
bonds (distance) C4'-P energy: -54.106
bonds (distance) P-C4' energy: -48.103
flat angles C4'-P-C4' energy: -53.186
flat angles P-C4'-P energy: -32.186
tors. eta vs tors. theta energy: -68.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -825.457633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.457633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.457633 (E_RNA)
where:
Base-Base interactions energy: -565.485
where: short stacking energy: -245.818
Base-Backbone interact. energy: -0.059
local terms energy: -259.913233
where:
bonds (distance) C4'-P energy: -47.725
bonds (distance) P-C4' energy: -40.837
flat angles C4'-P-C4' energy: -58.166
flat angles P-C4'-P energy: -34.934
tors. eta vs tors. theta energy: -78.252
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: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -818.388941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.388941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.388941 (E_RNA)
where:
Base-Base interactions energy: -575.721
where: short stacking energy: -238.579
Base-Backbone interact. energy: -0.134
local terms energy: -242.534638
where:
bonds (distance) C4'-P energy: -36.223
bonds (distance) P-C4' energy: -49.229
flat angles C4'-P-C4' energy: -55.096
flat angles P-C4'-P energy: -38.614
tors. eta vs tors. theta energy: -63.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -764.045974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.045974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.045974 (E_RNA)
where:
Base-Base interactions energy: -513.594
where: short stacking energy: -235.799
Base-Backbone interact. energy: 1.304
local terms energy: -251.755517
where:
bonds (distance) C4'-P energy: -55.802
bonds (distance) P-C4' energy: -54.867
flat angles C4'-P-C4' energy: -39.232
flat angles P-C4'-P energy: -37.581
tors. eta vs tors. theta energy: -64.273
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: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -715.380780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.380780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.380780 (E_RNA)
where:
Base-Base interactions energy: -475.381
where: short stacking energy: -217.905
Base-Backbone interact. energy: -1.665
local terms energy: -238.334590
where:
bonds (distance) C4'-P energy: -49.911
bonds (distance) P-C4' energy: -46.534
flat angles C4'-P-C4' energy: -44.849
flat angles P-C4'-P energy: -33.757
tors. eta vs tors. theta energy: -63.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -565.516234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.516234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.516234 (E_RNA)
where:
Base-Base interactions energy: -376.991
where: short stacking energy: -163.072
Base-Backbone interact. energy: -1.092
local terms energy: -187.432843
where:
bonds (distance) C4'-P energy: -37.618
bonds (distance) P-C4' energy: -38.781
flat angles C4'-P-C4' energy: -44.905
flat angles P-C4'-P energy: -28.468
tors. eta vs tors. theta energy: -37.660
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: 127
Temperature: 1.300000
Total energy: -385.908920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.908920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.908920 (E_RNA)
where:
Base-Base interactions energy: -233.444
where: short stacking energy: -114.704
Base-Backbone interact. energy: -0.491
local terms energy: -151.974324
where:
bonds (distance) C4'-P energy: -42.319
bonds (distance) P-C4' energy: -31.482
flat angles C4'-P-C4' energy: -32.826
flat angles P-C4'-P energy: -36.264
tors. eta vs tors. theta energy: -9.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -260.910467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.910467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.910467 (E_RNA)
where:
Base-Base interactions energy: -124.505
where: short stacking energy: -98.811
Base-Backbone interact. energy: 1.456
local terms energy: -137.860732
where:
bonds (distance) C4'-P energy: -36.103
bonds (distance) P-C4' energy: -32.555
flat angles C4'-P-C4' energy: -44.259
flat angles P-C4'-P energy: -23.803
tors. eta vs tors. theta energy: -1.140
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: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -965.494267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.494267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.494267 (E_RNA)
where:
Base-Base interactions energy: -682.396
where: short stacking energy: -269.914
Base-Backbone interact. energy: -1.140
local terms energy: -281.957590
where:
bonds (distance) C4'-P energy: -54.391
bonds (distance) P-C4' energy: -54.601
flat angles C4'-P-C4' energy: -61.379
flat angles P-C4'-P energy: -34.868
tors. eta vs tors. theta energy: -76.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -921.787007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.787007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.787007 (E_RNA)
where:
Base-Base interactions energy: -648.314
where: short stacking energy: -254.439
Base-Backbone interact. energy: -0.985
local terms energy: -272.487426
where:
bonds (distance) C4'-P energy: -49.121
bonds (distance) P-C4' energy: -46.491
flat angles C4'-P-C4' energy: -59.413
flat angles P-C4'-P energy: -42.493
tors. eta vs tors. theta energy: -74.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -849.266447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.266447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.266447 (E_RNA)
where:
Base-Base interactions energy: -575.381
where: short stacking energy: -237.799
Base-Backbone interact. energy: -1.140
local terms energy: -272.745951
where:
bonds (distance) C4'-P energy: -43.291
bonds (distance) P-C4' energy: -53.717
flat angles C4'-P-C4' energy: -63.111
flat angles P-C4'-P energy: -48.163
tors. eta vs tors. theta energy: -64.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -856.146429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.146429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.146429 (E_RNA)
where:
Base-Base interactions energy: -601.529
where: short stacking energy: -239.292
Base-Backbone interact. energy: 0.454
local terms energy: -255.070908
where:
bonds (distance) C4'-P energy: -49.178
bonds (distance) P-C4' energy: -47.169
flat angles C4'-P-C4' energy: -54.736
flat angles P-C4'-P energy: -33.877
tors. eta vs tors. theta energy: -70.111
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: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -821.329411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.329411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.329411 (E_RNA)
where:
Base-Base interactions energy: -561.402
where: short stacking energy: -240.119
Base-Backbone interact. energy: -1.057
local terms energy: -258.869942
where:
bonds (distance) C4'-P energy: -41.857
bonds (distance) P-C4' energy: -51.251
flat angles C4'-P-C4' energy: -54.573
flat angles P-C4'-P energy: -36.495
tors. eta vs tors. theta energy: -74.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -756.390377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.390377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.390377 (E_RNA)
where:
Base-Base interactions energy: -519.995
where: short stacking energy: -222.136
Base-Backbone interact. energy: -1.631
local terms energy: -234.763975
where:
bonds (distance) C4'-P energy: -35.892
bonds (distance) P-C4' energy: -44.932
flat angles C4'-P-C4' energy: -58.259
flat angles P-C4'-P energy: -35.424
tors. eta vs tors. theta energy: -60.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -695.641351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.641351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.641351 (E_RNA)
where:
Base-Base interactions energy: -456.191
where: short stacking energy: -212.882
Base-Backbone interact. energy: -0.177
local terms energy: -239.273426
where:
bonds (distance) C4'-P energy: -43.773
bonds (distance) P-C4' energy: -47.416
flat angles C4'-P-C4' energy: -52.055
flat angles P-C4'-P energy: -35.569
tors. eta vs tors. theta energy: -60.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -602.813047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.813047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.813047 (E_RNA)
where:
Base-Base interactions energy: -404.704
where: short stacking energy: -173.821
Base-Backbone interact. energy: 4.448
local terms energy: -202.556679
where:
bonds (distance) C4'-P energy: -35.484
bonds (distance) P-C4' energy: -49.968
flat angles C4'-P-C4' energy: -49.850
flat angles P-C4'-P energy: -32.807
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: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -355.631869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.631869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.631869 (E_RNA)
where:
Base-Base interactions energy: -198.786
where: short stacking energy: -95.417
Base-Backbone interact. energy: 1.269
local terms energy: -158.114919
where:
bonds (distance) C4'-P energy: -44.591
bonds (distance) P-C4' energy: -50.544
flat angles C4'-P-C4' energy: -32.740
flat angles P-C4'-P energy: -26.628
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -231.175164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.175164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.175164 (E_RNA)
where:
Base-Base interactions energy: -80.725
where: short stacking energy: -68.315
Base-Backbone interact. energy: 0.174
local terms energy: -150.624063
where:
bonds (distance) C4'-P energy: -45.933
bonds (distance) P-C4' energy: -44.155
flat angles C4'-P-C4' energy: -40.689
flat angles P-C4'-P energy: -19.302
tors. eta vs tors. theta energy: -0.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -957.664783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.664783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.664783 (E_RNA)
where:
Base-Base interactions energy: -684.435
where: short stacking energy: -279.892
Base-Backbone interact. energy: -2.870
local terms energy: -270.358926
where:
bonds (distance) C4'-P energy: -51.509
bonds (distance) P-C4' energy: -47.003
flat angles C4'-P-C4' energy: -62.109
flat angles P-C4'-P energy: -31.713
tors. eta vs tors. theta energy: -78.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -913.684078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.684078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.684078 (E_RNA)
where:
Base-Base interactions energy: -647.080
where: short stacking energy: -245.498
Base-Backbone interact. energy: 0.411
local terms energy: -267.014859
where:
bonds (distance) C4'-P energy: -48.989
bonds (distance) P-C4' energy: -49.044
flat angles C4'-P-C4' energy: -62.936
flat angles P-C4'-P energy: -38.337
tors. eta vs tors. theta energy: -67.710
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: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -847.343067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.343067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.343067 (E_RNA)
where:
Base-Base interactions energy: -570.085
where: short stacking energy: -247.206
Base-Backbone interact. energy: -0.469
local terms energy: -276.789088
where:
bonds (distance) C4'-P energy: -51.855
bonds (distance) P-C4' energy: -47.999
flat angles C4'-P-C4' energy: -61.519
flat angles P-C4'-P energy: -41.823
tors. eta vs tors. theta energy: -73.593
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: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -841.228583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.228583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.228583 (E_RNA)
where:
Base-Base interactions energy: -571.887
where: short stacking energy: -248.562
Base-Backbone interact. energy: 0.258
local terms energy: -269.600432
where:
bonds (distance) C4'-P energy: -50.215
bonds (distance) P-C4' energy: -50.509
flat angles C4'-P-C4' energy: -60.966
flat angles P-C4'-P energy: -33.500
tors. eta vs tors. theta energy: -74.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -828.838373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.838373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.838373 (E_RNA)
where:
Base-Base interactions energy: -589.161
where: short stacking energy: -225.349
Base-Backbone interact. energy: -1.309
local terms energy: -238.367753
where:
bonds (distance) C4'-P energy: -43.641
bonds (distance) P-C4' energy: -48.801
flat angles C4'-P-C4' energy: -47.074
flat angles P-C4'-P energy: -39.058
tors. eta vs tors. theta energy: -59.794
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: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -746.882892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.882892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.882892 (E_RNA)
where:
Base-Base interactions energy: -494.438
where: short stacking energy: -194.874
Base-Backbone interact. energy: -1.310
local terms energy: -251.134595
where:
bonds (distance) C4'-P energy: -42.792
bonds (distance) P-C4' energy: -53.528
flat angles C4'-P-C4' energy: -51.502
flat angles P-C4'-P energy: -41.511
tors. eta vs tors. theta energy: -61.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -642.605244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.605244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.605244 (E_RNA)
where:
Base-Base interactions energy: -403.316
where: short stacking energy: -193.717
Base-Backbone interact. energy: -1.240
local terms energy: -238.048985
where:
bonds (distance) C4'-P energy: -48.076
bonds (distance) P-C4' energy: -48.572
flat angles C4'-P-C4' energy: -51.647
flat angles P-C4'-P energy: -36.174
tors. eta vs tors. theta energy: -53.579
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: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -559.428354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.428354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.428354 (E_RNA)
where:
Base-Base interactions energy: -359.650
where: short stacking energy: -159.640
Base-Backbone interact. energy: -0.585
local terms energy: -199.192855
where:
bonds (distance) C4'-P energy: -38.121
bonds (distance) P-C4' energy: -45.810
flat angles C4'-P-C4' energy: -52.133
flat angles P-C4'-P energy: -32.813
tors. eta vs tors. theta energy: -30.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -407.025196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.025196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.025196 (E_RNA)
where:
Base-Base interactions energy: -230.207
where: short stacking energy: -111.054
Base-Backbone interact. energy: -1.857
local terms energy: -174.961481
where:
bonds (distance) C4'-P energy: -33.684
bonds (distance) P-C4' energy: -49.697
flat angles C4'-P-C4' energy: -50.208
flat angles P-C4'-P energy: -26.165
tors. eta vs tors. theta energy: -15.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -242.838107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.838107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.838107 (E_RNA)
where:
Base-Base interactions energy: -67.666
where: short stacking energy: -63.966
Base-Backbone interact. energy: -1.206
local terms energy: -173.966503
where:
bonds (distance) C4'-P energy: -39.573
bonds (distance) P-C4' energy: -55.969
flat angles C4'-P-C4' energy: -52.421
flat angles P-C4'-P energy: -36.940
tors. eta vs tors. theta energy: 10.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -947.591747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.591747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.591747 (E_RNA)
where:
Base-Base interactions energy: -682.853
where: short stacking energy: -275.862
Base-Backbone interact. energy: 0.079
local terms energy: -264.818514
where:
bonds (distance) C4'-P energy: -40.729
bonds (distance) P-C4' energy: -51.997
flat angles C4'-P-C4' energy: -63.941
flat angles P-C4'-P energy: -33.000
tors. eta vs tors. theta energy: -75.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -925.632471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.632471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.632471 (E_RNA)
where:
Base-Base interactions energy: -649.010
where: short stacking energy: -252.666
Base-Backbone interact. energy: -0.435
local terms energy: -276.188152
where:
bonds (distance) C4'-P energy: -54.487
bonds (distance) P-C4' energy: -54.903
flat angles C4'-P-C4' energy: -58.306
flat angles P-C4'-P energy: -38.911
tors. eta vs tors. theta energy: -69.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -856.994678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.994678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.994678 (E_RNA)
where:
Base-Base interactions energy: -586.123
where: short stacking energy: -266.933
Base-Backbone interact. energy: 0.994
local terms energy: -271.865040
where:
bonds (distance) C4'-P energy: -52.624
bonds (distance) P-C4' energy: -41.989
flat angles C4'-P-C4' energy: -64.521
flat angles P-C4'-P energy: -37.714
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: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -836.387985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.387985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.387985 (E_RNA)
where:
Base-Base interactions energy: -579.396
where: short stacking energy: -234.978
Base-Backbone interact. energy: -2.214
local terms energy: -254.777757
where:
bonds (distance) C4'-P energy: -42.705
bonds (distance) P-C4' energy: -48.507
flat angles C4'-P-C4' energy: -57.134
flat angles P-C4'-P energy: -38.886
tors. eta vs tors. theta energy: -67.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -794.041196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.041196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.041196 (E_RNA)
where:
Base-Base interactions energy: -538.892
where: short stacking energy: -218.366
Base-Backbone interact. energy: 0.442
local terms energy: -255.591730
where:
bonds (distance) C4'-P energy: -57.229
bonds (distance) P-C4' energy: -53.857
flat angles C4'-P-C4' energy: -51.445
flat angles P-C4'-P energy: -34.414
tors. eta vs tors. theta energy: -58.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -771.876469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.876469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.876469 (E_RNA)
where:
Base-Base interactions energy: -517.360
where: short stacking energy: -217.265
Base-Backbone interact. energy: 0.666
local terms energy: -255.182319
where:
bonds (distance) C4'-P energy: -48.763
bonds (distance) P-C4' energy: -48.355
flat angles C4'-P-C4' energy: -55.363
flat angles P-C4'-P energy: -40.618
tors. eta vs tors. theta energy: -62.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -595.659279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.659279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.659279 (E_RNA)
where:
Base-Base interactions energy: -374.578
where: short stacking energy: -171.387
Base-Backbone interact. energy: 1.674
local terms energy: -222.755917
where:
bonds (distance) C4'-P energy: -48.385
bonds (distance) P-C4' energy: -45.855
flat angles C4'-P-C4' energy: -55.393
flat angles P-C4'-P energy: -34.561
tors. eta vs tors. theta energy: -38.561
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: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -612.767048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.767048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.767048 (E_RNA)
where:
Base-Base interactions energy: -405.955
where: short stacking energy: -193.875
Base-Backbone interact. energy: 3.341
local terms energy: -210.153636
where:
bonds (distance) C4'-P energy: -39.693
bonds (distance) P-C4' energy: -52.536
flat angles C4'-P-C4' energy: -42.396
flat angles P-C4'-P energy: -36.986
tors. eta vs tors. theta energy: -38.543
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: 130
Temperature: 1.300000
Total energy: -406.286664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.286664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.286664 (E_RNA)
where:
Base-Base interactions energy: -238.567
where: short stacking energy: -118.767
Base-Backbone interact. energy: -2.079
local terms energy: -165.640602
where:
bonds (distance) C4'-P energy: -40.222
bonds (distance) P-C4' energy: -51.183
flat angles C4'-P-C4' energy: -39.744
flat angles P-C4'-P energy: -23.397
tors. eta vs tors. theta energy: -11.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -224.596783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.596783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.596783 (E_RNA)
where:
Base-Base interactions energy: -71.937
where: short stacking energy: -65.633
Base-Backbone interact. energy: 2.130
local terms energy: -154.789540
where:
bonds (distance) C4'-P energy: -45.351
bonds (distance) P-C4' energy: -41.658
flat angles C4'-P-C4' energy: -47.013
flat angles P-C4'-P energy: -24.700
tors. eta vs tors. theta energy: 3.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -950.615453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.615453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.615453 (E_RNA)
where:
Base-Base interactions energy: -690.426
where: short stacking energy: -252.253
Base-Backbone interact. energy: 2.713
local terms energy: -262.901718
where:
bonds (distance) C4'-P energy: -50.781
bonds (distance) P-C4' energy: -49.186
flat angles C4'-P-C4' energy: -54.251
flat angles P-C4'-P energy: -35.273
tors. eta vs tors. theta energy: -73.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -887.660963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.660963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.660963 (E_RNA)
where:
Base-Base interactions energy: -628.806
where: short stacking energy: -239.875
Base-Backbone interact. energy: -0.633
local terms energy: -258.222441
where:
bonds (distance) C4'-P energy: -42.349
bonds (distance) P-C4' energy: -57.044
flat angles C4'-P-C4' energy: -53.305
flat angles P-C4'-P energy: -37.831
tors. eta vs tors. theta energy: -67.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -846.080515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.080515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.080515 (E_RNA)
where:
Base-Base interactions energy: -585.145
where: short stacking energy: -258.827
Base-Backbone interact. energy: -1.419
local terms energy: -259.516672
where:
bonds (distance) C4'-P energy: -49.953
bonds (distance) P-C4' energy: -44.662
flat angles C4'-P-C4' energy: -55.366
flat angles P-C4'-P energy: -34.768
tors. eta vs tors. theta energy: -74.767
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: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -847.911431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.911431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.911431 (E_RNA)
where:
Base-Base interactions energy: -579.342
where: short stacking energy: -231.223
Base-Backbone interact. energy: -1.298
local terms energy: -267.271131
where:
bonds (distance) C4'-P energy: -46.588
bonds (distance) P-C4' energy: -54.621
flat angles C4'-P-C4' energy: -55.683
flat angles P-C4'-P energy: -44.763
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: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -823.050078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.050078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.050078 (E_RNA)
where:
Base-Base interactions energy: -561.793
where: short stacking energy: -214.727
Base-Backbone interact. energy: -2.768
local terms energy: -258.489308
where:
bonds (distance) C4'-P energy: -47.648
bonds (distance) P-C4' energy: -57.675
flat angles C4'-P-C4' energy: -55.792
flat angles P-C4'-P energy: -32.643
tors. eta vs tors. theta energy: -64.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -746.878544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.878544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.878544 (E_RNA)
where:
Base-Base interactions energy: -506.678
where: short stacking energy: -211.463
Base-Backbone interact. energy: -1.734
local terms energy: -238.465954
where:
bonds (distance) C4'-P energy: -35.588
bonds (distance) P-C4' energy: -50.804
flat angles C4'-P-C4' energy: -52.982
flat angles P-C4'-P energy: -37.596
tors. eta vs tors. theta energy: -61.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -585.056637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.056637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.056637 (E_RNA)
where:
Base-Base interactions energy: -391.503
where: short stacking energy: -172.539
Base-Backbone interact. energy: -0.608
local terms energy: -192.945207
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -43.603
flat angles C4'-P-C4' energy: -48.488
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -36.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -646.172432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.172432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.172432 (E_RNA)
where:
Base-Base interactions energy: -433.698
where: short stacking energy: -194.485
Base-Backbone interact. energy: -0.081
local terms energy: -212.393310
where:
bonds (distance) C4'-P energy: -32.268
bonds (distance) P-C4' energy: -39.609
flat angles C4'-P-C4' energy: -49.885
flat angles P-C4'-P energy: -40.575
tors. eta vs tors. theta energy: -50.057
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: 131
Temperature: 1.300000
Total energy: -441.414736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.414736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.414736 (E_RNA)
where:
Base-Base interactions energy: -262.176
where: short stacking energy: -134.741
Base-Backbone interact. energy: -0.964
local terms energy: -178.274501
where:
bonds (distance) C4'-P energy: -27.932
bonds (distance) P-C4' energy: -50.356
flat angles C4'-P-C4' energy: -55.217
flat angles P-C4'-P energy: -21.615
tors. eta vs tors. theta energy: -23.154
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: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -232.711330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.711330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.711330 (E_RNA)
where:
Base-Base interactions energy: -79.519
where: short stacking energy: -63.333
Base-Backbone interact. energy: -0.097
local terms energy: -153.094673
where:
bonds (distance) C4'-P energy: -52.395
bonds (distance) P-C4' energy: -56.973
flat angles C4'-P-C4' energy: -40.411
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: 6.080
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: 132
Temperature: 0.900000
Total energy: -962.086020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.086020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.086020 (E_RNA)
where:
Base-Base interactions energy: -679.512
where: short stacking energy: -260.905
Base-Backbone interact. energy: -0.890
local terms energy: -281.683830
where:
bonds (distance) C4'-P energy: -50.311
bonds (distance) P-C4' energy: -56.928
flat angles C4'-P-C4' energy: -56.184
flat angles P-C4'-P energy: -46.269
tors. eta vs tors. theta energy: -71.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -887.666602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.666602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.666602 (E_RNA)
where:
Base-Base interactions energy: -626.623
where: short stacking energy: -234.766
Base-Backbone interact. energy: -0.794
local terms energy: -260.249602
where:
bonds (distance) C4'-P energy: -54.396
bonds (distance) P-C4' energy: -48.987
flat angles C4'-P-C4' energy: -50.684
flat angles P-C4'-P energy: -35.277
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: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -845.057260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.057260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.057260 (E_RNA)
where:
Base-Base interactions energy: -584.286
where: short stacking energy: -232.598
Base-Backbone interact. energy: -2.044
local terms energy: -258.727251
where:
bonds (distance) C4'-P energy: -49.014
bonds (distance) P-C4' energy: -45.604
flat angles C4'-P-C4' energy: -55.609
flat angles P-C4'-P energy: -40.035
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: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -850.326979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.326979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.326979 (E_RNA)
where:
Base-Base interactions energy: -583.456
where: short stacking energy: -244.059
Base-Backbone interact. energy: -0.558
local terms energy: -266.312570
where:
bonds (distance) C4'-P energy: -54.913
bonds (distance) P-C4' energy: -44.526
flat angles C4'-P-C4' energy: -52.546
flat angles P-C4'-P energy: -43.972
tors. eta vs tors. theta energy: -70.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -809.091189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.091189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.091189 (E_RNA)
where:
Base-Base interactions energy: -564.744
where: short stacking energy: -239.017
Base-Backbone interact. energy: -1.185
local terms energy: -243.162260
where:
bonds (distance) C4'-P energy: -40.188
bonds (distance) P-C4' energy: -54.827
flat angles C4'-P-C4' energy: -54.434
flat angles P-C4'-P energy: -29.252
tors. eta vs tors. theta energy: -64.461
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: 6, replica: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -764.841789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.841789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.841789 (E_RNA)
where:
Base-Base interactions energy: -529.958
where: short stacking energy: -213.850
Base-Backbone interact. energy: -1.150
local terms energy: -233.733794
where:
bonds (distance) C4'-P energy: -45.359
bonds (distance) P-C4' energy: -45.613
flat angles C4'-P-C4' energy: -54.537
flat angles P-C4'-P energy: -27.189
tors. eta vs tors. theta energy: -61.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -631.437580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.437580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.437580 (E_RNA)
where:
Base-Base interactions energy: -428.678
where: short stacking energy: -192.299
Base-Backbone interact. energy: 0.117
local terms energy: -202.876387
where:
bonds (distance) C4'-P energy: -37.486
bonds (distance) P-C4' energy: -41.751
flat angles C4'-P-C4' energy: -40.314
flat angles P-C4'-P energy: -34.111
tors. eta vs tors. theta energy: -49.214
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: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -539.828256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.828256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.828256 (E_RNA)
where:
Base-Base interactions energy: -340.879
where: short stacking energy: -151.674
Base-Backbone interact. energy: -1.401
local terms energy: -197.548591
where:
bonds (distance) C4'-P energy: -44.500
bonds (distance) P-C4' energy: -49.722
flat angles C4'-P-C4' energy: -51.701
flat angles P-C4'-P energy: -19.377
tors. eta vs tors. theta energy: -32.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -420.274712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.274712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.274712 (E_RNA)
where:
Base-Base interactions energy: -259.721
where: short stacking energy: -122.893
Base-Backbone interact. energy: -0.493
local terms energy: -160.060726
where:
bonds (distance) C4'-P energy: -39.798
bonds (distance) P-C4' energy: -46.041
flat angles C4'-P-C4' energy: -45.878
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -224.731198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.731198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.731198 (E_RNA)
where:
Base-Base interactions energy: -81.471
where: short stacking energy: -67.733
Base-Backbone interact. energy: -0.494
local terms energy: -142.766845
where:
bonds (distance) C4'-P energy: -49.031
bonds (distance) P-C4' energy: -48.447
flat angles C4'-P-C4' energy: -31.213
flat angles P-C4'-P energy: -29.596
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: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -961.855345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.855345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.855345 (E_RNA)
where:
Base-Base interactions energy: -676.436
where: short stacking energy: -269.795
Base-Backbone interact. energy: 1.483
local terms energy: -286.902262
where:
bonds (distance) C4'-P energy: -56.549
bonds (distance) P-C4' energy: -51.112
flat angles C4'-P-C4' energy: -65.417
flat angles P-C4'-P energy: -36.287
tors. eta vs tors. theta energy: -77.537
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: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -911.637889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.637889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.637889 (E_RNA)
where:
Base-Base interactions energy: -640.400
where: short stacking energy: -244.800
Base-Backbone interact. energy: -0.328
local terms energy: -270.910030
where:
bonds (distance) C4'-P energy: -48.314
bonds (distance) P-C4' energy: -50.215
flat angles C4'-P-C4' energy: -66.411
flat angles P-C4'-P energy: -36.331
tors. eta vs tors. theta energy: -69.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -854.463490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.463490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.463490 (E_RNA)
where:
Base-Base interactions energy: -574.286
where: short stacking energy: -242.019
Base-Backbone interact. energy: -2.066
local terms energy: -278.111461
where:
bonds (distance) C4'-P energy: -50.926
bonds (distance) P-C4' energy: -61.513
flat angles C4'-P-C4' energy: -58.665
flat angles P-C4'-P energy: -40.119
tors. eta vs tors. theta energy: -66.888
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: 7
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -812.303403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.303403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.303403 (E_RNA)
where:
Base-Base interactions energy: -550.661
where: short stacking energy: -229.311
Base-Backbone interact. energy: 1.725
local terms energy: -263.366536
where:
bonds (distance) C4'-P energy: -49.515
bonds (distance) P-C4' energy: -41.188
flat angles C4'-P-C4' energy: -61.667
flat angles P-C4'-P energy: -36.419
tors. eta vs tors. theta energy: -74.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -796.314503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.314503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.314503 (E_RNA)
where:
Base-Base interactions energy: -560.906
where: short stacking energy: -231.738
Base-Backbone interact. energy: -0.928
local terms energy: -234.480154
where:
bonds (distance) C4'-P energy: -36.090
bonds (distance) P-C4' energy: -44.852
flat angles C4'-P-C4' energy: -56.570
flat angles P-C4'-P energy: -37.325
tors. eta vs tors. theta energy: -59.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -766.934039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.934039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.934039 (E_RNA)
where:
Base-Base interactions energy: -524.154
where: short stacking energy: -233.953
Base-Backbone interact. energy: 0.033
local terms energy: -242.812838
where:
bonds (distance) C4'-P energy: -43.521
bonds (distance) P-C4' energy: -44.856
flat angles C4'-P-C4' energy: -57.409
flat angles P-C4'-P energy: -26.740
tors. eta vs tors. theta energy: -70.286
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: 7, replica: 4
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -675.536288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.536288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.536288 (E_RNA)
where:
Base-Base interactions energy: -437.759
where: short stacking energy: -186.728
Base-Backbone interact. energy: -0.524
local terms energy: -237.253443
where:
bonds (distance) C4'-P energy: -42.885
bonds (distance) P-C4' energy: -51.900
flat angles C4'-P-C4' energy: -47.257
flat angles P-C4'-P energy: -38.293
tors. eta vs tors. theta energy: -56.919
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: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -612.853884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.853884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.853884 (E_RNA)
where:
Base-Base interactions energy: -393.155
where: short stacking energy: -182.833
Base-Backbone interact. energy: 1.736
local terms energy: -221.434385
where:
bonds (distance) C4'-P energy: -53.445
bonds (distance) P-C4' energy: -46.009
flat angles C4'-P-C4' energy: -54.476
flat angles P-C4'-P energy: -28.028
tors. eta vs tors. theta energy: -39.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -395.746865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.746865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.746865 (E_RNA)
where:
Base-Base interactions energy: -221.776
where: short stacking energy: -104.170
Base-Backbone interact. energy: 1.295
local terms energy: -175.266714
where:
bonds (distance) C4'-P energy: -49.092
bonds (distance) P-C4' energy: -47.659
flat angles C4'-P-C4' energy: -42.457
flat angles P-C4'-P energy: -21.354
tors. eta vs tors. theta energy: -14.705
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: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -248.152265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.152265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.152265 (E_RNA)
where:
Base-Base interactions energy: -105.744
where: short stacking energy: -57.429
Base-Backbone interact. energy: -0.306
local terms energy: -142.102444
where:
bonds (distance) C4'-P energy: -45.250
bonds (distance) P-C4' energy: -48.154
flat angles C4'-P-C4' energy: -37.488
flat angles P-C4'-P energy: -19.136
tors. eta vs tors. theta energy: 7.925
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: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -945.900102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.900102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.900102 (E_RNA)
where:
Base-Base interactions energy: -666.630
where: short stacking energy: -267.521
Base-Backbone interact. energy: 1.113
local terms energy: -280.383214
where:
bonds (distance) C4'-P energy: -55.365
bonds (distance) P-C4' energy: -50.881
flat angles C4'-P-C4' energy: -55.250
flat angles P-C4'-P energy: -43.299
tors. eta vs tors. theta energy: -75.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -912.246323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.246323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.246323 (E_RNA)
where:
Base-Base interactions energy: -636.683
where: short stacking energy: -238.026
Base-Backbone interact. energy: -2.198
local terms energy: -273.365204
where:
bonds (distance) C4'-P energy: -53.271
bonds (distance) P-C4' energy: -57.469
flat angles C4'-P-C4' energy: -62.382
flat angles P-C4'-P energy: -33.321
tors. eta vs tors. theta energy: -66.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -875.650725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.650725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.650725 (E_RNA)
where:
Base-Base interactions energy: -601.996
where: short stacking energy: -255.984
Base-Backbone interact. energy: -3.129
local terms energy: -270.526163
where:
bonds (distance) C4'-P energy: -51.035
bonds (distance) P-C4' energy: -45.358
flat angles C4'-P-C4' energy: -55.970
flat angles P-C4'-P energy: -39.141
tors. eta vs tors. theta energy: -79.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -835.739924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.739924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.739924 (E_RNA)
where:
Base-Base interactions energy: -557.445
where: short stacking energy: -238.145
Base-Backbone interact. energy: -0.145
local terms energy: -278.150185
where:
bonds (distance) C4'-P energy: -58.623
bonds (distance) P-C4' energy: -55.033
flat angles C4'-P-C4' energy: -54.684
flat angles P-C4'-P energy: -39.427
tors. eta vs tors. theta energy: -70.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -793.701930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.701930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.701930 (E_RNA)
where:
Base-Base interactions energy: -546.704
where: short stacking energy: -221.389
Base-Backbone interact. energy: 0.340
local terms energy: -247.338181
where:
bonds (distance) C4'-P energy: -46.675
bonds (distance) P-C4' energy: -59.356
flat angles C4'-P-C4' energy: -50.956
flat angles P-C4'-P energy: -32.956
tors. eta vs tors. theta energy: -57.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -741.680621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.680621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.680621 (E_RNA)
where:
Base-Base interactions energy: -494.728
where: short stacking energy: -210.110
Base-Backbone interact. energy: 1.809
local terms energy: -248.761623
where:
bonds (distance) C4'-P energy: -50.078
bonds (distance) P-C4' energy: -48.755
flat angles C4'-P-C4' energy: -55.071
flat angles P-C4'-P energy: -33.145
tors. eta vs tors. theta energy: -61.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -683.403055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.403055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.403055 (E_RNA)
where:
Base-Base interactions energy: -448.556
where: short stacking energy: -189.011
Base-Backbone interact. energy: -0.724
local terms energy: -234.122494
where:
bonds (distance) C4'-P energy: -50.618
bonds (distance) P-C4' energy: -43.654
flat angles C4'-P-C4' energy: -46.197
flat angles P-C4'-P energy: -32.692
tors. eta vs tors. theta energy: -60.962
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: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -551.617534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.617534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.617534 (E_RNA)
where:
Base-Base interactions energy: -335.361
where: short stacking energy: -156.443
Base-Backbone interact. energy: -0.926
local terms energy: -215.330728
where:
bonds (distance) C4'-P energy: -53.169
bonds (distance) P-C4' energy: -49.919
flat angles C4'-P-C4' energy: -47.819
flat angles P-C4'-P energy: -29.022
tors. eta vs tors. theta energy: -35.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -306.885748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.885748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.885748 (E_RNA)
where:
Base-Base interactions energy: -142.149
where: short stacking energy: -93.300
Base-Backbone interact. energy: 2.324
local terms energy: -167.061269
where:
bonds (distance) C4'-P energy: -45.417
bonds (distance) P-C4' energy: -48.731
flat angles C4'-P-C4' energy: -42.439
flat angles P-C4'-P energy: -20.031
tors. eta vs tors. theta energy: -10.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -365.375578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.375578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.375578 (E_RNA)
where:
Base-Base interactions energy: -198.963
where: short stacking energy: -104.302
Base-Backbone interact. energy: 2.782
local terms energy: -169.195407
where:
bonds (distance) C4'-P energy: -44.163
bonds (distance) P-C4' energy: -55.445
flat angles C4'-P-C4' energy: -36.532
flat angles P-C4'-P energy: -27.441
tors. eta vs tors. theta energy: -5.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -955.991930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.991930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.991930 (E_RNA)
where:
Base-Base interactions energy: -669.647
where: short stacking energy: -267.668
Base-Backbone interact. energy: -1.510
local terms energy: -284.834307
where:
bonds (distance) C4'-P energy: -46.458
bonds (distance) P-C4' energy: -53.592
flat angles C4'-P-C4' energy: -59.446
flat angles P-C4'-P energy: -45.763
tors. eta vs tors. theta energy: -79.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -893.501665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.501665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.501665 (E_RNA)
where:
Base-Base interactions energy: -624.198
where: short stacking energy: -264.537
Base-Backbone interact. energy: -0.239
local terms energy: -269.065062
where:
bonds (distance) C4'-P energy: -50.104
bonds (distance) P-C4' energy: -41.767
flat angles C4'-P-C4' energy: -57.346
flat angles P-C4'-P energy: -40.548
tors. eta vs tors. theta energy: -79.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -877.629949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.629949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.629949 (E_RNA)
where:
Base-Base interactions energy: -627.487
where: short stacking energy: -235.696
Base-Backbone interact. energy: -2.503
local terms energy: -247.640548
where:
bonds (distance) C4'-P energy: -46.400
bonds (distance) P-C4' energy: -52.427
flat angles C4'-P-C4' energy: -52.919
flat angles P-C4'-P energy: -31.555
tors. eta vs tors. theta energy: -64.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -813.082726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.082726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.082726 (E_RNA)
where:
Base-Base interactions energy: -545.977
where: short stacking energy: -221.988
Base-Backbone interact. energy: -1.710
local terms energy: -265.396126
where:
bonds (distance) C4'-P energy: -49.689
bonds (distance) P-C4' energy: -53.408
flat angles C4'-P-C4' energy: -49.712
flat angles P-C4'-P energy: -45.044
tors. eta vs tors. theta energy: -67.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -815.985661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.985661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.985661 (E_RNA)
where:
Base-Base interactions energy: -549.125
where: short stacking energy: -230.720
Base-Backbone interact. energy: -1.304
local terms energy: -265.556154
where:
bonds (distance) C4'-P energy: -57.267
bonds (distance) P-C4' energy: -47.753
flat angles C4'-P-C4' energy: -56.819
flat angles P-C4'-P energy: -34.999
tors. eta vs tors. theta energy: -68.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -734.767358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.767358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.767358 (E_RNA)
where:
Base-Base interactions energy: -485.839
where: short stacking energy: -200.626
Base-Backbone interact. energy: 0.269
local terms energy: -249.197135
where:
bonds (distance) C4'-P energy: -37.211
bonds (distance) P-C4' energy: -54.786
flat angles C4'-P-C4' energy: -55.486
flat angles P-C4'-P energy: -42.872
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: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -639.684980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.684980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.684980 (E_RNA)
where:
Base-Base interactions energy: -424.494
where: short stacking energy: -190.719
Base-Backbone interact. energy: -1.204
local terms energy: -213.987512
where:
bonds (distance) C4'-P energy: -48.525
bonds (distance) P-C4' energy: -45.747
flat angles C4'-P-C4' energy: -51.794
flat angles P-C4'-P energy: -25.600
tors. eta vs tors. theta energy: -42.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -575.611101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.611101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.611101 (E_RNA)
where:
Base-Base interactions energy: -387.394
where: short stacking energy: -151.623
Base-Backbone interact. energy: -0.965
local terms energy: -187.252156
where:
bonds (distance) C4'-P energy: -44.599
bonds (distance) P-C4' energy: -42.552
flat angles C4'-P-C4' energy: -41.171
flat angles P-C4'-P energy: -28.042
tors. eta vs tors. theta energy: -30.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -244.930925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.930925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.930925 (E_RNA)
where:
Base-Base interactions energy: -68.105
where: short stacking energy: -60.991
Base-Backbone interact. energy: -0.715
local terms energy: -176.110755
where:
bonds (distance) C4'-P energy: -47.340
bonds (distance) P-C4' energy: -50.213
flat angles C4'-P-C4' energy: -47.088
flat angles P-C4'-P energy: -29.405
tors. eta vs tors. theta energy: -2.064
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: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -337.555840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.555840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.555840 (E_RNA)
where:
Base-Base interactions energy: -202.580
where: short stacking energy: -101.031
Base-Backbone interact. energy: 1.831
local terms energy: -136.806735
where:
bonds (distance) C4'-P energy: -31.680
bonds (distance) P-C4' energy: -44.067
flat angles C4'-P-C4' energy: -35.244
flat angles P-C4'-P energy: -21.179
tors. eta vs tors. theta energy: -4.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -959.505847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.505847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.505847 (E_RNA)
where:
Base-Base interactions energy: -678.822
where: short stacking energy: -265.669
Base-Backbone interact. energy: -1.934
local terms energy: -278.750444
where:
bonds (distance) C4'-P energy: -53.078
bonds (distance) P-C4' energy: -50.760
flat angles C4'-P-C4' energy: -58.965
flat angles P-C4'-P energy: -37.579
tors. eta vs tors. theta energy: -78.369
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: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -876.744638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.744638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.744638 (E_RNA)
where:
Base-Base interactions energy: -600.624
where: short stacking energy: -271.396
Base-Backbone interact. energy: -2.225
local terms energy: -273.895703
where:
bonds (distance) C4'-P energy: -56.366
bonds (distance) P-C4' energy: -49.010
flat angles C4'-P-C4' energy: -58.097
flat angles P-C4'-P energy: -41.103
tors. eta vs tors. theta energy: -69.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -884.662242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.662242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.662242 (E_RNA)
where:
Base-Base interactions energy: -608.354
where: short stacking energy: -234.607
Base-Backbone interact. energy: -2.616
local terms energy: -273.692975
where:
bonds (distance) C4'-P energy: -49.498
bonds (distance) P-C4' energy: -57.333
flat angles C4'-P-C4' energy: -57.349
flat angles P-C4'-P energy: -39.491
tors. eta vs tors. theta energy: -70.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -805.948892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.948892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.948892 (E_RNA)
where:
Base-Base interactions energy: -549.702
where: short stacking energy: -230.868
Base-Backbone interact. energy: 0.136
local terms energy: -256.382964
where:
bonds (distance) C4'-P energy: -41.777
bonds (distance) P-C4' energy: -47.220
flat angles C4'-P-C4' energy: -63.012
flat angles P-C4'-P energy: -40.717
tors. eta vs tors. theta energy: -63.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -792.818302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.818302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.818302 (E_RNA)
where:
Base-Base interactions energy: -529.115
where: short stacking energy: -244.317
Base-Backbone interact. energy: -1.727
local terms energy: -261.976539
where:
bonds (distance) C4'-P energy: -40.464
bonds (distance) P-C4' energy: -54.845
flat angles C4'-P-C4' energy: -60.809
flat angles P-C4'-P energy: -39.614
tors. eta vs tors. theta energy: -66.246
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: 136
Temperature: 1.150000
Total energy: -754.940399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.940399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.940399 (E_RNA)
where:
Base-Base interactions energy: -528.970
where: short stacking energy: -201.498
Base-Backbone interact. energy: -2.654
local terms energy: -223.316439
where:
bonds (distance) C4'-P energy: -35.178
bonds (distance) P-C4' energy: -40.280
flat angles C4'-P-C4' energy: -59.805
flat angles P-C4'-P energy: -32.116
tors. eta vs tors. theta energy: -55.937
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: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -676.620680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.620680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.620680 (E_RNA)
where:
Base-Base interactions energy: -438.470
where: short stacking energy: -202.356
Base-Backbone interact. energy: -0.213
local terms energy: -237.937533
where:
bonds (distance) C4'-P energy: -41.853
bonds (distance) P-C4' energy: -50.315
flat angles C4'-P-C4' energy: -52.882
flat angles P-C4'-P energy: -36.794
tors. eta vs tors. theta energy: -56.093
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: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -557.401910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.401910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.401910 (E_RNA)
where:
Base-Base interactions energy: -361.200
where: short stacking energy: -155.704
Base-Backbone interact. energy: 0.533
local terms energy: -196.734422
where:
bonds (distance) C4'-P energy: -49.171
bonds (distance) P-C4' energy: -42.173
flat angles C4'-P-C4' energy: -45.485
flat angles P-C4'-P energy: -26.609
tors. eta vs tors. theta energy: -33.295
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: 136
Temperature: 1.300000
Total energy: -374.733356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.733356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.733356 (E_RNA)
where:
Base-Base interactions energy: -232.315
where: short stacking energy: -100.479
Base-Backbone interact. energy: -0.631
local terms energy: -141.787586
where:
bonds (distance) C4'-P energy: -46.994
bonds (distance) P-C4' energy: -35.739
flat angles C4'-P-C4' energy: -30.909
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -5.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -207.882569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.882569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.882569 (E_RNA)
where:
Base-Base interactions energy: -79.071
where: short stacking energy: -63.413
Base-Backbone interact. energy: -0.775
local terms energy: -128.036730
where:
bonds (distance) C4'-P energy: -36.182
bonds (distance) P-C4' energy: -41.933
flat angles C4'-P-C4' energy: -44.030
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: 9.213
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: 137
Temperature: 0.900000
Total energy: -949.012447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.012447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.012447 (E_RNA)
where:
Base-Base interactions energy: -671.219
where: short stacking energy: -260.728
Base-Backbone interact. energy: -2.283
local terms energy: -275.510396
where:
bonds (distance) C4'-P energy: -52.549
bonds (distance) P-C4' energy: -54.455
flat angles C4'-P-C4' energy: -53.189
flat angles P-C4'-P energy: -38.372
tors. eta vs tors. theta energy: -76.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -903.337740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.337740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.337740 (E_RNA)
where:
Base-Base interactions energy: -625.996
where: short stacking energy: -249.208
Base-Backbone interact. energy: -3.046
local terms energy: -274.295630
where:
bonds (distance) C4'-P energy: -52.250
bonds (distance) P-C4' energy: -49.778
flat angles C4'-P-C4' energy: -64.716
flat angles P-C4'-P energy: -37.495
tors. eta vs tors. theta energy: -70.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -865.993537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.993537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.993537 (E_RNA)
where:
Base-Base interactions energy: -585.245
where: short stacking energy: -255.876
Base-Backbone interact. energy: -2.225
local terms energy: -278.524022
where:
bonds (distance) C4'-P energy: -49.881
bonds (distance) P-C4' energy: -57.666
flat angles C4'-P-C4' energy: -56.431
flat angles P-C4'-P energy: -37.669
tors. eta vs tors. theta energy: -76.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -811.217623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.217623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.217623 (E_RNA)
where:
Base-Base interactions energy: -558.010
where: short stacking energy: -231.364
Base-Backbone interact. energy: -1.114
local terms energy: -252.093849
where:
bonds (distance) C4'-P energy: -51.569
bonds (distance) P-C4' energy: -52.331
flat angles C4'-P-C4' energy: -52.918
flat angles P-C4'-P energy: -27.613
tors. eta vs tors. theta energy: -67.664
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: 5, replica: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -750.629949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.629949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.629949 (E_RNA)
where:
Base-Base interactions energy: -520.168
where: short stacking energy: -199.611
Base-Backbone interact. energy: -1.335
local terms energy: -229.126516
where:
bonds (distance) C4'-P energy: -48.373
bonds (distance) P-C4' energy: -37.943
flat angles C4'-P-C4' energy: -58.758
flat angles P-C4'-P energy: -29.820
tors. eta vs tors. theta energy: -54.232
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: 6, replica: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -768.372919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.372919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.372919 (E_RNA)
where:
Base-Base interactions energy: -536.026
where: short stacking energy: -205.396
Base-Backbone interact. energy: 1.839
local terms energy: -234.185726
where:
bonds (distance) C4'-P energy: -46.637
bonds (distance) P-C4' energy: -42.330
flat angles C4'-P-C4' energy: -46.963
flat angles P-C4'-P energy: -34.284
tors. eta vs tors. theta energy: -63.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -616.838491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.838491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.838491 (E_RNA)
where:
Base-Base interactions energy: -400.227
where: short stacking energy: -169.088
Base-Backbone interact. energy: -0.246
local terms energy: -216.365409
where:
bonds (distance) C4'-P energy: -47.557
bonds (distance) P-C4' energy: -48.675
flat angles C4'-P-C4' energy: -49.652
flat angles P-C4'-P energy: -27.277
tors. eta vs tors. theta energy: -43.204
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: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -556.122085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.122085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.122085 (E_RNA)
where:
Base-Base interactions energy: -362.448
where: short stacking energy: -150.069
Base-Backbone interact. energy: -1.218
local terms energy: -192.455972
where:
bonds (distance) C4'-P energy: -53.327
bonds (distance) P-C4' energy: -42.377
flat angles C4'-P-C4' energy: -43.959
flat angles P-C4'-P energy: -23.906
tors. eta vs tors. theta energy: -28.887
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: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -342.333576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.333576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.333576 (E_RNA)
where:
Base-Base interactions energy: -168.261
where: short stacking energy: -85.433
Base-Backbone interact. energy: -1.227
local terms energy: -172.845731
where:
bonds (distance) C4'-P energy: -39.368
bonds (distance) P-C4' energy: -44.403
flat angles C4'-P-C4' energy: -45.888
flat angles P-C4'-P energy: -36.608
tors. eta vs tors. theta energy: -6.580
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: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -247.634495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.634495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.634495 (E_RNA)
where:
Base-Base interactions energy: -87.590
where: short stacking energy: -79.671
Base-Backbone interact. energy: 0.687
local terms energy: -160.732071
where:
bonds (distance) C4'-P energy: -44.345
bonds (distance) P-C4' energy: -42.190
flat angles C4'-P-C4' energy: -45.603
flat angles P-C4'-P energy: -31.812
tors. eta vs tors. theta energy: 3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -928.184483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.184483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.184483 (E_RNA)
where:
Base-Base interactions energy: -647.588
where: short stacking energy: -252.522
Base-Backbone interact. energy: -2.587
local terms energy: -278.008687
where:
bonds (distance) C4'-P energy: -47.280
bonds (distance) P-C4' energy: -56.165
flat angles C4'-P-C4' energy: -62.378
flat angles P-C4'-P energy: -39.153
tors. eta vs tors. theta energy: -73.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -904.451060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.451060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.451060 (E_RNA)
where:
Base-Base interactions energy: -623.095
where: short stacking energy: -255.691
Base-Backbone interact. energy: -0.678
local terms energy: -280.678152
where:
bonds (distance) C4'-P energy: -46.026
bonds (distance) P-C4' energy: -49.084
flat angles C4'-P-C4' energy: -65.047
flat angles P-C4'-P energy: -45.364
tors. eta vs tors. theta energy: -75.158
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: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -871.307720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.307720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.307720 (E_RNA)
where:
Base-Base interactions energy: -595.289
where: short stacking energy: -246.350
Base-Backbone interact. energy: -0.929
local terms energy: -275.090291
where:
bonds (distance) C4'-P energy: -47.617
bonds (distance) P-C4' energy: -55.066
flat angles C4'-P-C4' energy: -53.681
flat angles P-C4'-P energy: -38.338
tors. eta vs tors. theta energy: -80.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -787.612348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.612348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.612348 (E_RNA)
where:
Base-Base interactions energy: -528.408
where: short stacking energy: -221.417
Base-Backbone interact. energy: -0.747
local terms energy: -258.457965
where:
bonds (distance) C4'-P energy: -50.516
bonds (distance) P-C4' energy: -48.331
flat angles C4'-P-C4' energy: -52.915
flat angles P-C4'-P energy: -39.442
tors. eta vs tors. theta energy: -67.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -753.917930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.917930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.917930 (E_RNA)
where:
Base-Base interactions energy: -499.115
where: short stacking energy: -209.999
Base-Backbone interact. energy: -0.787
local terms energy: -254.015331
where:
bonds (distance) C4'-P energy: -51.129
bonds (distance) P-C4' energy: -60.970
flat angles C4'-P-C4' energy: -59.144
flat angles P-C4'-P energy: -24.717
tors. eta vs tors. theta energy: -58.055
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: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -737.532064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.532064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.532064 (E_RNA)
where:
Base-Base interactions energy: -505.289
where: short stacking energy: -200.385
Base-Backbone interact. energy: -1.771
local terms energy: -230.471839
where:
bonds (distance) C4'-P energy: -43.996
bonds (distance) P-C4' energy: -48.841
flat angles C4'-P-C4' energy: -46.198
flat angles P-C4'-P energy: -40.134
tors. eta vs tors. theta energy: -51.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -586.186261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.186261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.186261 (E_RNA)
where:
Base-Base interactions energy: -388.580
where: short stacking energy: -157.819
Base-Backbone interact. energy: -2.660
local terms energy: -194.946464
where:
bonds (distance) C4'-P energy: -43.324
bonds (distance) P-C4' energy: -49.641
flat angles C4'-P-C4' energy: -37.686
flat angles P-C4'-P energy: -23.417
tors. eta vs tors. theta energy: -40.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -543.962568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.962568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.962568 (E_RNA)
where:
Base-Base interactions energy: -354.360
where: short stacking energy: -165.529
Base-Backbone interact. energy: 1.137
local terms energy: -190.739552
where:
bonds (distance) C4'-P energy: -37.576
bonds (distance) P-C4' energy: -42.020
flat angles C4'-P-C4' energy: -44.711
flat angles P-C4'-P energy: -37.145
tors. eta vs tors. theta energy: -29.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -323.604535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.604535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.604535 (E_RNA)
where:
Base-Base interactions energy: -165.917
where: short stacking energy: -108.478
Base-Backbone interact. energy: -0.604
local terms energy: -157.083481
where:
bonds (distance) C4'-P energy: -48.744
bonds (distance) P-C4' energy: -30.600
flat angles C4'-P-C4' energy: -41.312
flat angles P-C4'-P energy: -22.562
tors. eta vs tors. theta energy: -13.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -241.224295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.224295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.224295 (E_RNA)
where:
Base-Base interactions energy: -87.147
where: short stacking energy: -64.375
Base-Backbone interact. energy: -0.386
local terms energy: -153.690870
where:
bonds (distance) C4'-P energy: -46.902
bonds (distance) P-C4' energy: -49.993
flat angles C4'-P-C4' energy: -44.635
flat angles P-C4'-P energy: -20.938
tors. eta vs tors. theta energy: 8.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -925.631392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.631392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.631392 (E_RNA)
where:
Base-Base interactions energy: -649.109
where: short stacking energy: -264.438
Base-Backbone interact. energy: -1.799
local terms energy: -274.723727
where:
bonds (distance) C4'-P energy: -53.840
bonds (distance) P-C4' energy: -50.675
flat angles C4'-P-C4' energy: -58.638
flat angles P-C4'-P energy: -37.176
tors. eta vs tors. theta energy: -74.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -914.878717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.878717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.878717 (E_RNA)
where:
Base-Base interactions energy: -645.327
where: short stacking energy: -256.624
Base-Backbone interact. energy: -1.422
local terms energy: -268.129877
where:
bonds (distance) C4'-P energy: -54.177
bonds (distance) P-C4' energy: -55.640
flat angles C4'-P-C4' energy: -54.127
flat angles P-C4'-P energy: -29.596
tors. eta vs tors. theta energy: -74.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -882.078798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.078798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.078798 (E_RNA)
where:
Base-Base interactions energy: -616.175
where: short stacking energy: -251.906
Base-Backbone interact. energy: -1.235
local terms energy: -264.669321
where:
bonds (distance) C4'-P energy: -50.714
bonds (distance) P-C4' energy: -49.147
flat angles C4'-P-C4' energy: -56.944
flat angles P-C4'-P energy: -37.305
tors. eta vs tors. theta energy: -70.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -800.403061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.403061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.403061 (E_RNA)
where:
Base-Base interactions energy: -530.087
where: short stacking energy: -240.684
Base-Backbone interact. energy: -1.545
local terms energy: -268.770775
where:
bonds (distance) C4'-P energy: -56.260
bonds (distance) P-C4' energy: -50.066
flat angles C4'-P-C4' energy: -53.928
flat angles P-C4'-P energy: -33.892
tors. eta vs tors. theta energy: -74.626
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: 5, replica: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -752.871996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.871996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.871996 (E_RNA)
where:
Base-Base interactions energy: -513.773
where: short stacking energy: -221.816
Base-Backbone interact. energy: 1.204
local terms energy: -240.303144
where:
bonds (distance) C4'-P energy: -52.620
bonds (distance) P-C4' energy: -43.638
flat angles C4'-P-C4' energy: -54.357
flat angles P-C4'-P energy: -34.561
tors. eta vs tors. theta energy: -55.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -765.880374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.880374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.880374 (E_RNA)
where:
Base-Base interactions energy: -524.767
where: short stacking energy: -208.560
Base-Backbone interact. energy: -1.632
local terms energy: -239.480853
where:
bonds (distance) C4'-P energy: -40.834
bonds (distance) P-C4' energy: -44.034
flat angles C4'-P-C4' energy: -52.144
flat angles P-C4'-P energy: -38.253
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: 7, replica: 4
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -581.446855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.446855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.446855 (E_RNA)
where:
Base-Base interactions energy: -361.669
where: short stacking energy: -169.119
Base-Backbone interact. energy: -2.665
local terms energy: -217.112633
where:
bonds (distance) C4'-P energy: -44.934
bonds (distance) P-C4' energy: -48.091
flat angles C4'-P-C4' energy: -49.016
flat angles P-C4'-P energy: -28.911
tors. eta vs tors. theta energy: -46.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -546.838430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.838430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.838430 (E_RNA)
where:
Base-Base interactions energy: -350.535
where: short stacking energy: -156.484
Base-Backbone interact. energy: -1.216
local terms energy: -195.088406
where:
bonds (distance) C4'-P energy: -41.086
bonds (distance) P-C4' energy: -51.676
flat angles C4'-P-C4' energy: -39.673
flat angles P-C4'-P energy: -30.519
tors. eta vs tors. theta energy: -32.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -323.169003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.169003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.169003 (E_RNA)
where:
Base-Base interactions energy: -168.889
where: short stacking energy: -83.565
Base-Backbone interact. energy: 0.409
local terms energy: -154.688921
where:
bonds (distance) C4'-P energy: -40.329
bonds (distance) P-C4' energy: -49.511
flat angles C4'-P-C4' energy: -33.419
flat angles P-C4'-P energy: -29.976
tors. eta vs tors. theta energy: -1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -234.547280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.547280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.547280 (E_RNA)
where:
Base-Base interactions energy: -90.114
where: short stacking energy: -64.231
Base-Backbone interact. energy: 2.700
local terms energy: -147.132484
where:
bonds (distance) C4'-P energy: -35.369
bonds (distance) P-C4' energy: -45.085
flat angles C4'-P-C4' energy: -46.982
flat angles P-C4'-P energy: -28.585
tors. eta vs tors. theta energy: 8.888
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: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -926.507730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.507730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.507730 (E_RNA)
where:
Base-Base interactions energy: -639.998
where: short stacking energy: -249.591
Base-Backbone interact. energy: -3.042
local terms energy: -283.467644
where:
bonds (distance) C4'-P energy: -50.801
bonds (distance) P-C4' energy: -54.332
flat angles C4'-P-C4' energy: -55.004
flat angles P-C4'-P energy: -47.865
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: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -916.194284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.194284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.194284 (E_RNA)
where:
Base-Base interactions energy: -642.693
where: short stacking energy: -256.211
Base-Backbone interact. energy: -2.028
local terms energy: -271.473163
where:
bonds (distance) C4'-P energy: -57.476
bonds (distance) P-C4' energy: -50.276
flat angles C4'-P-C4' energy: -56.280
flat angles P-C4'-P energy: -30.447
tors. eta vs tors. theta energy: -76.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -860.302619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.302619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.302619 (E_RNA)
where:
Base-Base interactions energy: -592.543
where: short stacking energy: -239.395
Base-Backbone interact. energy: -1.884
local terms energy: -265.875898
where:
bonds (distance) C4'-P energy: -54.453
bonds (distance) P-C4' energy: -44.007
flat angles C4'-P-C4' energy: -57.101
flat angles P-C4'-P energy: -42.052
tors. eta vs tors. theta energy: -68.264
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: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -802.650442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.650442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.650442 (E_RNA)
where:
Base-Base interactions energy: -553.397
where: short stacking energy: -246.744
Base-Backbone interact. energy: -0.237
local terms energy: -249.016751
where:
bonds (distance) C4'-P energy: -47.667
bonds (distance) P-C4' energy: -43.064
flat angles C4'-P-C4' energy: -54.308
flat angles P-C4'-P energy: -34.013
tors. eta vs tors. theta energy: -69.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -819.662496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.662496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.662496 (E_RNA)
where:
Base-Base interactions energy: -550.799
where: short stacking energy: -232.363
Base-Backbone interact. energy: -2.046
local terms energy: -266.816742
where:
bonds (distance) C4'-P energy: -50.018
bonds (distance) P-C4' energy: -53.388
flat angles C4'-P-C4' energy: -56.979
flat angles P-C4'-P energy: -31.682
tors. eta vs tors. theta energy: -74.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -737.760670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.760670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.760670 (E_RNA)
where:
Base-Base interactions energy: -498.523
where: short stacking energy: -211.245
Base-Backbone interact. energy: -0.081
local terms energy: -239.156927
where:
bonds (distance) C4'-P energy: -43.192
bonds (distance) P-C4' energy: -51.667
flat angles C4'-P-C4' energy: -55.377
flat angles P-C4'-P energy: -30.043
tors. eta vs tors. theta energy: -58.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -635.926816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.926816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.926816 (E_RNA)
where:
Base-Base interactions energy: -425.645
where: short stacking energy: -170.907
Base-Backbone interact. energy: -0.141
local terms energy: -210.140834
where:
bonds (distance) C4'-P energy: -54.847
bonds (distance) P-C4' energy: -51.047
flat angles C4'-P-C4' energy: -32.550
flat angles P-C4'-P energy: -32.298
tors. eta vs tors. theta energy: -39.399
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: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -540.043351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.043351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.043351 (E_RNA)
where:
Base-Base interactions energy: -331.536
where: short stacking energy: -156.544
Base-Backbone interact. energy: -0.504
local terms energy: -208.003377
where:
bonds (distance) C4'-P energy: -41.176
bonds (distance) P-C4' energy: -48.569
flat angles C4'-P-C4' energy: -57.271
flat angles P-C4'-P energy: -27.271
tors. eta vs tors. theta energy: -33.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -334.587461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.587461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.587461 (E_RNA)
where:
Base-Base interactions energy: -176.550
where: short stacking energy: -100.585
Base-Backbone interact. energy: -1.519
local terms energy: -156.519167
where:
bonds (distance) C4'-P energy: -47.299
bonds (distance) P-C4' energy: -40.204
flat angles C4'-P-C4' energy: -33.228
flat angles P-C4'-P energy: -37.495
tors. eta vs tors. theta energy: 1.707
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: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -263.534479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.534479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.534479 (E_RNA)
where:
Base-Base interactions energy: -119.247
where: short stacking energy: -82.910
Base-Backbone interact. energy: -0.835
local terms energy: -143.452270
where:
bonds (distance) C4'-P energy: -40.655
bonds (distance) P-C4' energy: -51.277
flat angles C4'-P-C4' energy: -33.106
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: -2.731
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: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -921.516975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.516975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.516975 (E_RNA)
where:
Base-Base interactions energy: -656.519
where: short stacking energy: -258.430
Base-Backbone interact. energy: 0.010
local terms energy: -265.008455
where:
bonds (distance) C4'-P energy: -46.335
bonds (distance) P-C4' energy: -49.766
flat angles C4'-P-C4' energy: -57.326
flat angles P-C4'-P energy: -40.308
tors. eta vs tors. theta energy: -71.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -890.647616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.647616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.647616 (E_RNA)
where:
Base-Base interactions energy: -607.462
where: short stacking energy: -258.643
Base-Backbone interact. energy: -3.140
local terms energy: -280.044736
where:
bonds (distance) C4'-P energy: -53.755
bonds (distance) P-C4' energy: -51.325
flat angles C4'-P-C4' energy: -64.596
flat angles P-C4'-P energy: -34.223
tors. eta vs tors. theta energy: -76.146
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: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -877.294326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.294326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.294326 (E_RNA)
where:
Base-Base interactions energy: -625.858
where: short stacking energy: -241.516
Base-Backbone interact. energy: -1.434
local terms energy: -250.002230
where:
bonds (distance) C4'-P energy: -38.954
bonds (distance) P-C4' energy: -48.208
flat angles C4'-P-C4' energy: -65.913
flat angles P-C4'-P energy: -29.599
tors. eta vs tors. theta energy: -67.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -840.739875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.739875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.739875 (E_RNA)
where:
Base-Base interactions energy: -570.835
where: short stacking energy: -238.396
Base-Backbone interact. energy: 0.167
local terms energy: -270.072431
where:
bonds (distance) C4'-P energy: -56.880
bonds (distance) P-C4' energy: -51.344
flat angles C4'-P-C4' energy: -50.807
flat angles P-C4'-P energy: -43.241
tors. eta vs tors. theta energy: -67.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -777.127101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.127101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.127101 (E_RNA)
where:
Base-Base interactions energy: -540.518
where: short stacking energy: -233.402
Base-Backbone interact. energy: -0.586
local terms energy: -236.023545
where:
bonds (distance) C4'-P energy: -37.542
bonds (distance) P-C4' energy: -48.101
flat angles C4'-P-C4' energy: -48.063
flat angles P-C4'-P energy: -42.767
tors. eta vs tors. theta energy: -59.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -759.360231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.360231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.360231 (E_RNA)
where:
Base-Base interactions energy: -522.458
where: short stacking energy: -203.454
Base-Backbone interact. energy: 1.587
local terms energy: -238.489484
where:
bonds (distance) C4'-P energy: -42.651
bonds (distance) P-C4' energy: -51.127
flat angles C4'-P-C4' energy: -53.229
flat angles P-C4'-P energy: -37.166
tors. eta vs tors. theta energy: -54.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -622.218843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.218843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.218843 (E_RNA)
where:
Base-Base interactions energy: -397.321
where: short stacking energy: -170.871
Base-Backbone interact. energy: -1.146
local terms energy: -223.751985
where:
bonds (distance) C4'-P energy: -48.637
bonds (distance) P-C4' energy: -52.747
flat angles C4'-P-C4' energy: -42.873
flat angles P-C4'-P energy: -33.419
tors. eta vs tors. theta energy: -46.075
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: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -562.149325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.149325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.149325 (E_RNA)
where:
Base-Base interactions energy: -351.206
where: short stacking energy: -158.672
Base-Backbone interact. energy: 0.191
local terms energy: -211.134399
where:
bonds (distance) C4'-P energy: -48.469
bonds (distance) P-C4' energy: -47.900
flat angles C4'-P-C4' energy: -52.996
flat angles P-C4'-P energy: -28.810
tors. eta vs tors. theta energy: -32.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -353.243312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.243312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.243312 (E_RNA)
where:
Base-Base interactions energy: -186.194
where: short stacking energy: -100.127
Base-Backbone interact. energy: -0.567
local terms energy: -166.482546
where:
bonds (distance) C4'-P energy: -47.874
bonds (distance) P-C4' energy: -46.029
flat angles C4'-P-C4' energy: -40.512
flat angles P-C4'-P energy: -25.997
tors. eta vs tors. theta energy: -6.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -229.988456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.988456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.988456 (E_RNA)
where:
Base-Base interactions energy: -85.088
where: short stacking energy: -79.740
Base-Backbone interact. energy: 1.087
local terms energy: -145.987090
where:
bonds (distance) C4'-P energy: -39.903
bonds (distance) P-C4' energy: -46.753
flat angles C4'-P-C4' energy: -34.485
flat angles P-C4'-P energy: -23.833
tors. eta vs tors. theta energy: -1.014
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: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -912.146520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.146520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.146520 (E_RNA)
where:
Base-Base interactions energy: -642.962
where: short stacking energy: -251.441
Base-Backbone interact. energy: -1.562
local terms energy: -267.622162
where:
bonds (distance) C4'-P energy: -53.660
bonds (distance) P-C4' energy: -55.526
flat angles C4'-P-C4' energy: -51.596
flat angles P-C4'-P energy: -36.875
tors. eta vs tors. theta energy: -69.965
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: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -888.731813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.731813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.731813 (E_RNA)
where:
Base-Base interactions energy: -617.597
where: short stacking energy: -256.110
Base-Backbone interact. energy: -1.869
local terms energy: -269.265824
where:
bonds (distance) C4'-P energy: -55.297
bonds (distance) P-C4' energy: -44.552
flat angles C4'-P-C4' energy: -58.008
flat angles P-C4'-P energy: -36.959
tors. eta vs tors. theta energy: -74.449
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: 3, replica: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -838.793292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.793292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.793292 (E_RNA)
where:
Base-Base interactions energy: -575.418
where: short stacking energy: -234.533
Base-Backbone interact. energy: -1.928
local terms energy: -261.447706
where:
bonds (distance) C4'-P energy: -49.896
bonds (distance) P-C4' energy: -59.505
flat angles C4'-P-C4' energy: -53.364
flat angles P-C4'-P energy: -36.959
tors. eta vs tors. theta energy: -61.724
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: 1
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -886.979297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.979297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.979297 (E_RNA)
where:
Base-Base interactions energy: -614.101
where: short stacking energy: -245.699
Base-Backbone interact. energy: -2.322
local terms energy: -270.556422
where:
bonds (distance) C4'-P energy: -49.642
bonds (distance) P-C4' energy: -48.299
flat angles C4'-P-C4' energy: -58.817
flat angles P-C4'-P energy: -40.575
tors. eta vs tors. theta energy: -73.223
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: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -751.670858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.670858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.670858 (E_RNA)
where:
Base-Base interactions energy: -529.756
where: short stacking energy: -207.555
Base-Backbone interact. energy: -2.389
local terms energy: -219.526109
where:
bonds (distance) C4'-P energy: -43.059
bonds (distance) P-C4' energy: -43.679
flat angles C4'-P-C4' energy: -51.052
flat angles P-C4'-P energy: -33.269
tors. eta vs tors. theta energy: -48.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -791.303816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.303816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.303816 (E_RNA)
where:
Base-Base interactions energy: -544.528
where: short stacking energy: -229.841
Base-Backbone interact. energy: -1.335
local terms energy: -245.440876
where:
bonds (distance) C4'-P energy: -47.451
bonds (distance) P-C4' energy: -47.710
flat angles C4'-P-C4' energy: -55.024
flat angles P-C4'-P energy: -35.790
tors. eta vs tors. theta energy: -59.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -568.983333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.983333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.983333 (E_RNA)
where:
Base-Base interactions energy: -364.688
where: short stacking energy: -149.906
Base-Backbone interact. energy: -0.075
local terms energy: -204.220738
where:
bonds (distance) C4'-P energy: -38.105
bonds (distance) P-C4' energy: -47.764
flat angles C4'-P-C4' energy: -52.550
flat angles P-C4'-P energy: -33.393
tors. eta vs tors. theta energy: -32.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -624.412347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.412347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.412347 (E_RNA)
where:
Base-Base interactions energy: -413.826
where: short stacking energy: -173.952
Base-Backbone interact. energy: 1.291
local terms energy: -211.876985
where:
bonds (distance) C4'-P energy: -49.549
bonds (distance) P-C4' energy: -45.907
flat angles C4'-P-C4' energy: -46.838
flat angles P-C4'-P energy: -29.578
tors. eta vs tors. theta energy: -40.006
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: 142
Temperature: 1.300000
Total energy: -321.398825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.398825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.398825 (E_RNA)
where:
Base-Base interactions energy: -141.591
where: short stacking energy: -72.891
Base-Backbone interact. energy: 0.770
local terms energy: -180.578175
where:
bonds (distance) C4'-P energy: -52.234
bonds (distance) P-C4' energy: -47.467
flat angles C4'-P-C4' energy: -50.104
flat angles P-C4'-P energy: -29.794
tors. eta vs tors. theta energy: -0.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -227.076824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.076824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.076824 (E_RNA)
where:
Base-Base interactions energy: -90.008
where: short stacking energy: -88.778
Base-Backbone interact. energy: 3.954
local terms energy: -141.022929
where:
bonds (distance) C4'-P energy: -30.586
bonds (distance) P-C4' energy: -54.008
flat angles C4'-P-C4' energy: -37.520
flat angles P-C4'-P energy: -25.683
tors. eta vs tors. theta energy: 6.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -916.124683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.124683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.124683 (E_RNA)
where:
Base-Base interactions energy: -639.075
where: short stacking energy: -254.507
Base-Backbone interact. energy: 0.041
local terms energy: -277.090976
where:
bonds (distance) C4'-P energy: -45.563
bonds (distance) P-C4' energy: -58.878
flat angles C4'-P-C4' energy: -62.410
flat angles P-C4'-P energy: -41.828
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: 2, replica: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -908.335779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.335779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.335779 (E_RNA)
where:
Base-Base interactions energy: -649.571
where: short stacking energy: -257.342
Base-Backbone interact. energy: 0.986
local terms energy: -259.751608
where:
bonds (distance) C4'-P energy: -51.731
bonds (distance) P-C4' energy: -45.695
flat angles C4'-P-C4' energy: -51.359
flat angles P-C4'-P energy: -36.382
tors. eta vs tors. theta energy: -74.584
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: 3, replica: 5
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -850.208653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.208653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.208653 (E_RNA)
where:
Base-Base interactions energy: -580.216
where: short stacking energy: -243.990
Base-Backbone interact. energy: -1.180
local terms energy: -268.813072
where:
bonds (distance) C4'-P energy: -40.461
bonds (distance) P-C4' energy: -52.196
flat angles C4'-P-C4' energy: -56.385
flat angles P-C4'-P energy: -43.241
tors. eta vs tors. theta energy: -76.530
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: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -879.529458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.529458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.529458 (E_RNA)
where:
Base-Base interactions energy: -615.976
where: short stacking energy: -244.164
Base-Backbone interact. energy: -2.655
local terms energy: -260.898395
where:
bonds (distance) C4'-P energy: -48.458
bonds (distance) P-C4' energy: -45.155
flat angles C4'-P-C4' energy: -56.047
flat angles P-C4'-P energy: -31.424
tors. eta vs tors. theta energy: -79.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -771.428933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.428933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.428933 (E_RNA)
where:
Base-Base interactions energy: -512.709
where: short stacking energy: -205.981
Base-Backbone interact. energy: -1.496
local terms energy: -257.224130
where:
bonds (distance) C4'-P energy: -47.808
bonds (distance) P-C4' energy: -55.166
flat angles C4'-P-C4' energy: -51.925
flat angles P-C4'-P energy: -36.071
tors. eta vs tors. theta energy: -66.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -780.712351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.712351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.712351 (E_RNA)
where:
Base-Base interactions energy: -544.255
where: short stacking energy: -226.504
Base-Backbone interact. energy: 4.129
local terms energy: -240.586934
where:
bonds (distance) C4'-P energy: -36.474
bonds (distance) P-C4' energy: -42.502
flat angles C4'-P-C4' energy: -60.247
flat angles P-C4'-P energy: -37.419
tors. eta vs tors. theta energy: -63.944
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: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -550.180634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.180634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.180634 (E_RNA)
where:
Base-Base interactions energy: -351.641
where: short stacking energy: -160.989
Base-Backbone interact. energy: -0.282
local terms energy: -198.257836
where:
bonds (distance) C4'-P energy: -47.791
bonds (distance) P-C4' energy: -41.584
flat angles C4'-P-C4' energy: -47.058
flat angles P-C4'-P energy: -28.272
tors. eta vs tors. theta energy: -33.552
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: 4
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -550.701642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.701642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.701642 (E_RNA)
where:
Base-Base interactions energy: -350.988
where: short stacking energy: -163.144
Base-Backbone interact. energy: 0.014
local terms energy: -199.727473
where:
bonds (distance) C4'-P energy: -44.964
bonds (distance) P-C4' energy: -43.275
flat angles C4'-P-C4' energy: -49.124
flat angles P-C4'-P energy: -30.113
tors. eta vs tors. theta energy: -32.252
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: 143
Temperature: 1.300000
Total energy: -321.119092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.119092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.119092 (E_RNA)
where:
Base-Base interactions energy: -158.274
where: short stacking energy: -89.239
Base-Backbone interact. energy: -1.784
local terms energy: -161.061160
where:
bonds (distance) C4'-P energy: -45.441
bonds (distance) P-C4' energy: -42.456
flat angles C4'-P-C4' energy: -37.857
flat angles P-C4'-P energy: -26.730
tors. eta vs tors. theta energy: -8.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -240.416001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.416001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.416001 (E_RNA)
where:
Base-Base interactions energy: -99.328
where: short stacking energy: -55.490
Base-Backbone interact. energy: -1.019
local terms energy: -140.069211
where:
bonds (distance) C4'-P energy: -38.757
bonds (distance) P-C4' energy: -52.544
flat angles C4'-P-C4' energy: -31.617
flat angles P-C4'-P energy: -27.369
tors. eta vs tors. theta energy: 10.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -932.812799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.812799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.812799 (E_RNA)
where:
Base-Base interactions energy: -638.752
where: short stacking energy: -264.461
Base-Backbone interact. energy: -1.923
local terms energy: -292.137932
where:
bonds (distance) C4'-P energy: -56.383
bonds (distance) P-C4' energy: -54.898
flat angles C4'-P-C4' energy: -64.803
flat angles P-C4'-P energy: -39.050
tors. eta vs tors. theta energy: -77.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -903.347346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.347346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.347346 (E_RNA)
where:
Base-Base interactions energy: -630.740
where: short stacking energy: -242.635
Base-Backbone interact. energy: -1.553
local terms energy: -271.054316
where:
bonds (distance) C4'-P energy: -51.027
bonds (distance) P-C4' energy: -56.305
flat angles C4'-P-C4' energy: -55.488
flat angles P-C4'-P energy: -39.343
tors. eta vs tors. theta energy: -68.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -889.913131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.913131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.913131 (E_RNA)
where:
Base-Base interactions energy: -630.389
where: short stacking energy: -243.202
Base-Backbone interact. energy: -1.786
local terms energy: -257.738630
where:
bonds (distance) C4'-P energy: -51.009
bonds (distance) P-C4' energy: -47.989
flat angles C4'-P-C4' energy: -58.416
flat angles P-C4'-P energy: -33.189
tors. eta vs tors. theta energy: -67.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -834.487813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.487813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.487813 (E_RNA)
where:
Base-Base interactions energy: -566.412
where: short stacking energy: -237.060
Base-Backbone interact. energy: -0.138
local terms energy: -267.937529
where:
bonds (distance) C4'-P energy: -56.012
bonds (distance) P-C4' energy: -47.729
flat angles C4'-P-C4' energy: -56.785
flat angles P-C4'-P energy: -33.580
tors. eta vs tors. theta energy: -73.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -769.084310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.084310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.084310 (E_RNA)
where:
Base-Base interactions energy: -525.236
where: short stacking energy: -211.350
Base-Backbone interact. energy: -0.595
local terms energy: -243.252904
where:
bonds (distance) C4'-P energy: -44.754
bonds (distance) P-C4' energy: -46.928
flat angles C4'-P-C4' energy: -51.180
flat angles P-C4'-P energy: -33.585
tors. eta vs tors. theta energy: -66.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -773.101521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.101521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.101521 (E_RNA)
where:
Base-Base interactions energy: -525.464
where: short stacking energy: -212.492
Base-Backbone interact. energy: -0.493
local terms energy: -247.143752
where:
bonds (distance) C4'-P energy: -51.399
bonds (distance) P-C4' energy: -48.171
flat angles C4'-P-C4' energy: -53.769
flat angles P-C4'-P energy: -33.342
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: 4
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -579.373931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.373931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.373931 (E_RNA)
where:
Base-Base interactions energy: -372.135
where: short stacking energy: -162.479
Base-Backbone interact. energy: 3.388
local terms energy: -210.626445
where:
bonds (distance) C4'-P energy: -38.530
bonds (distance) P-C4' energy: -49.975
flat angles C4'-P-C4' energy: -51.042
flat angles P-C4'-P energy: -26.976
tors. eta vs tors. theta energy: -44.103
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: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -550.172025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.172025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.172025 (E_RNA)
where:
Base-Base interactions energy: -338.179
where: short stacking energy: -155.470
Base-Backbone interact. energy: -1.350
local terms energy: -210.643135
where:
bonds (distance) C4'-P energy: -47.273
bonds (distance) P-C4' energy: -34.353
flat angles C4'-P-C4' energy: -52.328
flat angles P-C4'-P energy: -41.161
tors. eta vs tors. theta energy: -35.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -300.523257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.523257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.523257 (E_RNA)
where:
Base-Base interactions energy: -136.005
where: short stacking energy: -87.832
Base-Backbone interact. energy: -1.177
local terms energy: -163.341233
where:
bonds (distance) C4'-P energy: -52.665
bonds (distance) P-C4' energy: -33.571
flat angles C4'-P-C4' energy: -46.201
flat angles P-C4'-P energy: -26.750
tors. eta vs tors. theta energy: -4.154
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: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -238.943082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.943082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.943082 (E_RNA)
where:
Base-Base interactions energy: -94.451
where: short stacking energy: -67.364
Base-Backbone interact. energy: 2.057
local terms energy: -146.548810
where:
bonds (distance) C4'-P energy: -29.279
bonds (distance) P-C4' energy: -51.230
flat angles C4'-P-C4' energy: -45.599
flat angles P-C4'-P energy: -28.983
tors. eta vs tors. theta energy: 8.542
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: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -938.619248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.619248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.619248 (E_RNA)
where:
Base-Base interactions energy: -649.223
where: short stacking energy: -252.003
Base-Backbone interact. energy: -3.602
local terms energy: -285.794383
where:
bonds (distance) C4'-P energy: -55.766
bonds (distance) P-C4' energy: -50.309
flat angles C4'-P-C4' energy: -58.611
flat angles P-C4'-P energy: -43.572
tors. eta vs tors. theta energy: -77.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -886.266140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.266140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.266140 (E_RNA)
where:
Base-Base interactions energy: -627.489
where: short stacking energy: -248.121
Base-Backbone interact. energy: 0.232
local terms energy: -259.009203
where:
bonds (distance) C4'-P energy: -44.976
bonds (distance) P-C4' energy: -47.669
flat angles C4'-P-C4' energy: -62.753
flat angles P-C4'-P energy: -38.011
tors. eta vs tors. theta energy: -65.601
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: 3, replica: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -877.674379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.674379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.674379 (E_RNA)
where:
Base-Base interactions energy: -608.035
where: short stacking energy: -236.603
Base-Backbone interact. energy: -2.909
local terms energy: -266.730313
where:
bonds (distance) C4'-P energy: -53.312
bonds (distance) P-C4' energy: -52.693
flat angles C4'-P-C4' energy: -50.550
flat angles P-C4'-P energy: -43.228
tors. eta vs tors. theta energy: -66.947
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: 145
Temperature: 1.050000
Total energy: -845.349438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.349438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.349438 (E_RNA)
where:
Base-Base interactions energy: -591.854
where: short stacking energy: -248.663
Base-Backbone interact. energy: -1.047
local terms energy: -252.448867
where:
bonds (distance) C4'-P energy: -47.514
bonds (distance) P-C4' energy: -53.886
flat angles C4'-P-C4' energy: -52.934
flat angles P-C4'-P energy: -31.450
tors. eta vs tors. theta energy: -66.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -757.217060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.217060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.217060 (E_RNA)
where:
Base-Base interactions energy: -505.501
where: short stacking energy: -219.230
Base-Backbone interact. energy: -2.443
local terms energy: -249.272753
where:
bonds (distance) C4'-P energy: -42.457
bonds (distance) P-C4' energy: -52.769
flat angles C4'-P-C4' energy: -49.851
flat angles P-C4'-P energy: -37.260
tors. eta vs tors. theta energy: -66.936
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: 145
Temperature: 1.150000
Total energy: -756.975352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.975352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.975352 (E_RNA)
where:
Base-Base interactions energy: -510.277
where: short stacking energy: -223.537
Base-Backbone interact. energy: -0.702
local terms energy: -245.996892
where:
bonds (distance) C4'-P energy: -45.289
bonds (distance) P-C4' energy: -42.965
flat angles C4'-P-C4' energy: -53.065
flat angles P-C4'-P energy: -39.308
tors. eta vs tors. theta energy: -65.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -614.413023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.413023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.413023 (E_RNA)
where:
Base-Base interactions energy: -399.036
where: short stacking energy: -171.102
Base-Backbone interact. energy: -0.947
local terms energy: -214.430256
where:
bonds (distance) C4'-P energy: -40.108
bonds (distance) P-C4' energy: -49.260
flat angles C4'-P-C4' energy: -52.339
flat angles P-C4'-P energy: -31.151
tors. eta vs tors. theta energy: -41.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -546.992753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.992753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.992753 (E_RNA)
where:
Base-Base interactions energy: -355.148
where: short stacking energy: -152.643
Base-Backbone interact. energy: -1.641
local terms energy: -190.203687
where:
bonds (distance) C4'-P energy: -38.484
bonds (distance) P-C4' energy: -50.973
flat angles C4'-P-C4' energy: -49.034
flat angles P-C4'-P energy: -30.633
tors. eta vs tors. theta energy: -21.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -236.201849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.201849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.201849 (E_RNA)
where:
Base-Base interactions energy: -83.539
where: short stacking energy: -63.693
Base-Backbone interact. energy: -1.655
local terms energy: -151.008069
where:
bonds (distance) C4'-P energy: -53.536
bonds (distance) P-C4' energy: -46.934
flat angles C4'-P-C4' energy: -37.756
flat angles P-C4'-P energy: -26.233
tors. eta vs tors. theta energy: 13.450
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: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -226.356805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.356805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.356805 (E_RNA)
where:
Base-Base interactions energy: -82.431
where: short stacking energy: -67.266
Base-Backbone interact. energy: -0.672
local terms energy: -143.254441
where:
bonds (distance) C4'-P energy: -53.539
bonds (distance) P-C4' energy: -48.675
flat angles C4'-P-C4' energy: -29.506
flat angles P-C4'-P energy: -18.456
tors. eta vs tors. theta energy: 6.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -935.368954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.368954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.368954 (E_RNA)
where:
Base-Base interactions energy: -655.844
where: short stacking energy: -252.774
Base-Backbone interact. energy: -1.851
local terms energy: -277.674471
where:
bonds (distance) C4'-P energy: -58.671
bonds (distance) P-C4' energy: -48.207
flat angles C4'-P-C4' energy: -60.279
flat angles P-C4'-P energy: -39.830
tors. eta vs tors. theta energy: -70.686
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: 146
Temperature: 0.950000
Total energy: -910.143572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.143572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.143572 (E_RNA)
where:
Base-Base interactions energy: -627.507
where: short stacking energy: -249.973
Base-Backbone interact. energy: -0.452
local terms energy: -282.185073
where:
bonds (distance) C4'-P energy: -56.015
bonds (distance) P-C4' energy: -53.061
flat angles C4'-P-C4' energy: -57.853
flat angles P-C4'-P energy: -42.025
tors. eta vs tors. theta energy: -73.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -880.401435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.401435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.401435 (E_RNA)
where:
Base-Base interactions energy: -622.458
where: short stacking energy: -240.877
Base-Backbone interact. energy: -0.975
local terms energy: -256.968505
where:
bonds (distance) C4'-P energy: -40.883
bonds (distance) P-C4' energy: -54.447
flat angles C4'-P-C4' energy: -48.758
flat angles P-C4'-P energy: -39.373
tors. eta vs tors. theta energy: -73.508
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: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -851.190924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.190924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.190924 (E_RNA)
where:
Base-Base interactions energy: -592.684
where: short stacking energy: -227.694
Base-Backbone interact. energy: -2.861
local terms energy: -255.645525
where:
bonds (distance) C4'-P energy: -57.985
bonds (distance) P-C4' energy: -50.251
flat angles C4'-P-C4' energy: -52.176
flat angles P-C4'-P energy: -34.538
tors. eta vs tors. theta energy: -60.695
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: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -790.830290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.830290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.830290 (E_RNA)
where:
Base-Base interactions energy: -536.469
where: short stacking energy: -240.911
Base-Backbone interact. energy: -1.063
local terms energy: -253.298431
where:
bonds (distance) C4'-P energy: -44.946
bonds (distance) P-C4' energy: -46.840
flat angles C4'-P-C4' energy: -55.903
flat angles P-C4'-P energy: -34.752
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: 6, replica: 6
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -738.786427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.786427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.786427 (E_RNA)
where:
Base-Base interactions energy: -498.538
where: short stacking energy: -201.663
Base-Backbone interact. energy: -2.248
local terms energy: -238.001200
where:
bonds (distance) C4'-P energy: -43.179
bonds (distance) P-C4' energy: -56.531
flat angles C4'-P-C4' energy: -47.614
flat angles P-C4'-P energy: -31.701
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: 4
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -622.801503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.801503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.801503 (E_RNA)
where:
Base-Base interactions energy: -392.660
where: short stacking energy: -175.946
Base-Backbone interact. energy: -0.439
local terms energy: -229.702545
where:
bonds (distance) C4'-P energy: -42.087
bonds (distance) P-C4' energy: -52.441
flat angles C4'-P-C4' energy: -56.249
flat angles P-C4'-P energy: -33.703
tors. eta vs tors. theta energy: -45.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -539.972969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.972969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.972969 (E_RNA)
where:
Base-Base interactions energy: -347.671
where: short stacking energy: -139.492
Base-Backbone interact. energy: 0.168
local terms energy: -192.470067
where:
bonds (distance) C4'-P energy: -46.809
bonds (distance) P-C4' energy: -47.569
flat angles C4'-P-C4' energy: -44.566
flat angles P-C4'-P energy: -25.019
tors. eta vs tors. theta energy: -28.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -238.638518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.638518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.638518 (E_RNA)
where:
Base-Base interactions energy: -83.523
where: short stacking energy: -75.376
Base-Backbone interact. energy: 1.206
local terms energy: -156.320819
where:
bonds (distance) C4'-P energy: -53.034
bonds (distance) P-C4' energy: -50.788
flat angles C4'-P-C4' energy: -41.163
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: 6.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -215.894634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.894634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.894634 (E_RNA)
where:
Base-Base interactions energy: -72.796
where: short stacking energy: -63.141
Base-Backbone interact. energy: -0.360
local terms energy: -142.738752
where:
bonds (distance) C4'-P energy: -39.918
bonds (distance) P-C4' energy: -35.460
flat angles C4'-P-C4' energy: -42.626
flat angles P-C4'-P energy: -29.331
tors. eta vs tors. theta energy: 4.596
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: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -948.815210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.815210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.815210 (E_RNA)
where:
Base-Base interactions energy: -670.302
where: short stacking energy: -263.883
Base-Backbone interact. energy: -2.958
local terms energy: -275.554673
where:
bonds (distance) C4'-P energy: -47.703
bonds (distance) P-C4' energy: -55.524
flat angles C4'-P-C4' energy: -57.587
flat angles P-C4'-P energy: -45.034
tors. eta vs tors. theta energy: -69.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -910.921542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.921542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.921542 (E_RNA)
where:
Base-Base interactions energy: -639.756
where: short stacking energy: -254.150
Base-Backbone interact. energy: -2.190
local terms energy: -268.975449
where:
bonds (distance) C4'-P energy: -53.283
bonds (distance) P-C4' energy: -51.203
flat angles C4'-P-C4' energy: -59.449
flat angles P-C4'-P energy: -35.586
tors. eta vs tors. theta energy: -69.454
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: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -901.176444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.176444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.176444 (E_RNA)
where:
Base-Base interactions energy: -633.636
where: short stacking energy: -259.211
Base-Backbone interact. energy: -2.002
local terms energy: -265.538973
where:
bonds (distance) C4'-P energy: -36.372
bonds (distance) P-C4' energy: -51.816
flat angles C4'-P-C4' energy: -60.661
flat angles P-C4'-P energy: -39.957
tors. eta vs tors. theta energy: -76.733
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: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -836.428819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.428819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.428819 (E_RNA)
where:
Base-Base interactions energy: -583.510
where: short stacking energy: -215.627
Base-Backbone interact. energy: -3.301
local terms energy: -249.617721
where:
bonds (distance) C4'-P energy: -40.366
bonds (distance) P-C4' energy: -56.982
flat angles C4'-P-C4' energy: -58.565
flat angles P-C4'-P energy: -36.872
tors. eta vs tors. theta energy: -56.833
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: 7
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -795.603072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.603072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.603072 (E_RNA)
where:
Base-Base interactions energy: -550.240
where: short stacking energy: -227.492
Base-Backbone interact. energy: -0.996
local terms energy: -244.367233
where:
bonds (distance) C4'-P energy: -41.896
bonds (distance) P-C4' energy: -46.471
flat angles C4'-P-C4' energy: -47.962
flat angles P-C4'-P energy: -38.917
tors. eta vs tors. theta energy: -69.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -747.850820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.850820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.850820 (E_RNA)
where:
Base-Base interactions energy: -494.335
where: short stacking energy: -212.898
Base-Backbone interact. energy: -1.122
local terms energy: -252.394325
where:
bonds (distance) C4'-P energy: -52.354
bonds (distance) P-C4' energy: -51.013
flat angles C4'-P-C4' energy: -60.947
flat angles P-C4'-P energy: -29.333
tors. eta vs tors. theta energy: -58.747
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: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -686.811775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.811775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.811775 (E_RNA)
where:
Base-Base interactions energy: -481.027
where: short stacking energy: -212.249
Base-Backbone interact. energy: 1.022
local terms energy: -206.806310
where:
bonds (distance) C4'-P energy: -29.441
bonds (distance) P-C4' energy: -43.645
flat angles C4'-P-C4' energy: -45.497
flat angles P-C4'-P energy: -36.453
tors. eta vs tors. theta energy: -51.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -570.878529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.878529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.878529 (E_RNA)
where:
Base-Base interactions energy: -373.388
where: short stacking energy: -170.067
Base-Backbone interact. energy: -1.023
local terms energy: -196.467515
where:
bonds (distance) C4'-P energy: -44.279
bonds (distance) P-C4' energy: -39.598
flat angles C4'-P-C4' energy: -41.041
flat angles P-C4'-P energy: -29.210
tors. eta vs tors. theta energy: -42.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -253.819726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.819726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.819726 (E_RNA)
where:
Base-Base interactions energy: -103.672
where: short stacking energy: -85.406
Base-Backbone interact. energy: 0.846
local terms energy: -150.994204
where:
bonds (distance) C4'-P energy: -37.906
bonds (distance) P-C4' energy: -46.544
flat angles C4'-P-C4' energy: -34.724
flat angles P-C4'-P energy: -29.086
tors. eta vs tors. theta energy: -2.734
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: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -235.867223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.867223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.867223 (E_RNA)
where:
Base-Base interactions energy: -90.408
where: short stacking energy: -62.763
Base-Backbone interact. energy: -1.293
local terms energy: -144.165617
where:
bonds (distance) C4'-P energy: -40.305
bonds (distance) P-C4' energy: -42.852
flat angles C4'-P-C4' energy: -40.263
flat angles P-C4'-P energy: -18.969
tors. eta vs tors. theta energy: -1.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -927.733483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.733483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.733483 (E_RNA)
where:
Base-Base interactions energy: -642.167
where: short stacking energy: -264.800
Base-Backbone interact. energy: -0.278
local terms energy: -285.288266
where:
bonds (distance) C4'-P energy: -47.098
bonds (distance) P-C4' energy: -65.266
flat angles C4'-P-C4' energy: -52.404
flat angles P-C4'-P energy: -36.976
tors. eta vs tors. theta energy: -83.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -920.778795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.778795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.778795 (E_RNA)
where:
Base-Base interactions energy: -657.697
where: short stacking energy: -266.853
Base-Backbone interact. energy: -0.528
local terms energy: -262.553017
where:
bonds (distance) C4'-P energy: -43.256
bonds (distance) P-C4' energy: -49.594
flat angles C4'-P-C4' energy: -57.981
flat angles P-C4'-P energy: -32.448
tors. eta vs tors. theta energy: -79.273
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: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -848.869652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.869652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.869652 (E_RNA)
where:
Base-Base interactions energy: -599.173
where: short stacking energy: -229.819
Base-Backbone interact. energy: -3.333
local terms energy: -246.364275
where:
bonds (distance) C4'-P energy: -49.030
bonds (distance) P-C4' energy: -56.381
flat angles C4'-P-C4' energy: -49.518
flat angles P-C4'-P energy: -31.316
tors. eta vs tors. theta energy: -60.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -869.133942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.133942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.133942 (E_RNA)
where:
Base-Base interactions energy: -597.594
where: short stacking energy: -255.090
Base-Backbone interact. energy: -1.483
local terms energy: -270.057422
where:
bonds (distance) C4'-P energy: -38.665
bonds (distance) P-C4' energy: -54.592
flat angles C4'-P-C4' energy: -57.839
flat angles P-C4'-P energy: -43.010
tors. eta vs tors. theta energy: -75.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -796.654485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.654485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.654485 (E_RNA)
where:
Base-Base interactions energy: -552.707
where: short stacking energy: -229.407
Base-Backbone interact. energy: 0.439
local terms energy: -244.386293
where:
bonds (distance) C4'-P energy: -44.827
bonds (distance) P-C4' energy: -49.526
flat angles C4'-P-C4' energy: -52.917
flat angles P-C4'-P energy: -37.362
tors. eta vs tors. theta energy: -59.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -729.017352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.017352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.017352 (E_RNA)
where:
Base-Base interactions energy: -490.578
where: short stacking energy: -215.589
Base-Backbone interact. energy: -0.486
local terms energy: -237.953193
where:
bonds (distance) C4'-P energy: -37.245
bonds (distance) P-C4' energy: -48.100
flat angles C4'-P-C4' energy: -57.617
flat angles P-C4'-P energy: -38.068
tors. eta vs tors. theta energy: -56.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -648.746762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.746762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.746762 (E_RNA)
where:
Base-Base interactions energy: -422.948
where: short stacking energy: -191.326
Base-Backbone interact. energy: -1.501
local terms energy: -224.297896
where:
bonds (distance) C4'-P energy: -42.333
bonds (distance) P-C4' energy: -43.767
flat angles C4'-P-C4' energy: -49.431
flat angles P-C4'-P energy: -31.016
tors. eta vs tors. theta energy: -57.750
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: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -577.589353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.589353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.589353 (E_RNA)
where:
Base-Base interactions energy: -367.931
where: short stacking energy: -171.286
Base-Backbone interact. energy: -2.138
local terms energy: -207.520934
where:
bonds (distance) C4'-P energy: -42.812
bonds (distance) P-C4' energy: -51.399
flat angles C4'-P-C4' energy: -48.352
flat angles P-C4'-P energy: -29.872
tors. eta vs tors. theta energy: -35.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -252.328826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.328826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.328826 (E_RNA)
where:
Base-Base interactions energy: -85.135
where: short stacking energy: -80.440
Base-Backbone interact. energy: -0.162
local terms energy: -167.031684
where:
bonds (distance) C4'-P energy: -42.983
bonds (distance) P-C4' energy: -48.072
flat angles C4'-P-C4' energy: -43.902
flat angles P-C4'-P energy: -18.557
tors. eta vs tors. theta energy: -13.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -223.304776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.304776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.304776 (E_RNA)
where:
Base-Base interactions energy: -63.352
where: short stacking energy: -47.056
Base-Backbone interact. energy: -0.049
local terms energy: -159.903796
where:
bonds (distance) C4'-P energy: -49.974
bonds (distance) P-C4' energy: -48.438
flat angles C4'-P-C4' energy: -39.358
flat angles P-C4'-P energy: -31.286
tors. eta vs tors. theta energy: 9.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -920.292455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.292455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.292455 (E_RNA)
where:
Base-Base interactions energy: -631.246
where: short stacking energy: -254.772
Base-Backbone interact. energy: 0.356
local terms energy: -289.403232
where:
bonds (distance) C4'-P energy: -54.274
bonds (distance) P-C4' energy: -66.805
flat angles C4'-P-C4' energy: -55.646
flat angles P-C4'-P energy: -37.897
tors. eta vs tors. theta energy: -74.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -929.210764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.210764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.210764 (E_RNA)
where:
Base-Base interactions energy: -657.165
where: short stacking energy: -250.778
Base-Backbone interact. energy: -2.290
local terms energy: -269.755766
where:
bonds (distance) C4'-P energy: -56.453
bonds (distance) P-C4' energy: -45.867
flat angles C4'-P-C4' energy: -57.857
flat angles P-C4'-P energy: -36.421
tors. eta vs tors. theta energy: -73.158
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: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -860.536683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.536683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.536683 (E_RNA)
where:
Base-Base interactions energy: -609.387
where: short stacking energy: -237.465
Base-Backbone interact. energy: -3.209
local terms energy: -247.940404
where:
bonds (distance) C4'-P energy: -49.740
bonds (distance) P-C4' energy: -50.517
flat angles C4'-P-C4' energy: -53.450
flat angles P-C4'-P energy: -34.171
tors. eta vs tors. theta energy: -60.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -860.801086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.801086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.801086 (E_RNA)
where:
Base-Base interactions energy: -600.554
where: short stacking energy: -242.287
Base-Backbone interact. energy: -0.636
local terms energy: -259.610687
where:
bonds (distance) C4'-P energy: -44.342
bonds (distance) P-C4' energy: -47.190
flat angles C4'-P-C4' energy: -54.893
flat angles P-C4'-P energy: -41.796
tors. eta vs tors. theta energy: -71.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -769.562806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.562806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.562806 (E_RNA)
where:
Base-Base interactions energy: -518.201
where: short stacking energy: -226.527
Base-Backbone interact. energy: -1.233
local terms energy: -250.128654
where:
bonds (distance) C4'-P energy: -46.566
bonds (distance) P-C4' energy: -44.854
flat angles C4'-P-C4' energy: -51.690
flat angles P-C4'-P energy: -36.947
tors. eta vs tors. theta energy: -70.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -738.965192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.965192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.965192 (E_RNA)
where:
Base-Base interactions energy: -518.269
where: short stacking energy: -209.843
Base-Backbone interact. energy: -0.491
local terms energy: -220.205510
where:
bonds (distance) C4'-P energy: -42.692
bonds (distance) P-C4' energy: -50.620
flat angles C4'-P-C4' energy: -40.261
flat angles P-C4'-P energy: -38.394
tors. eta vs tors. theta energy: -48.238
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: 4
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -614.481889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.481889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.481889 (E_RNA)
where:
Base-Base interactions energy: -389.255
where: short stacking energy: -180.636
Base-Backbone interact. energy: -0.692
local terms energy: -224.534842
where:
bonds (distance) C4'-P energy: -44.791
bonds (distance) P-C4' energy: -55.431
flat angles C4'-P-C4' energy: -52.351
flat angles P-C4'-P energy: -29.484
tors. eta vs tors. theta energy: -42.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -543.427732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.427732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.427732 (E_RNA)
where:
Base-Base interactions energy: -351.950
where: short stacking energy: -145.684
Base-Backbone interact. energy: -0.633
local terms energy: -190.844772
where:
bonds (distance) C4'-P energy: -33.362
bonds (distance) P-C4' energy: -53.048
flat angles C4'-P-C4' energy: -39.949
flat angles P-C4'-P energy: -38.173
tors. eta vs tors. theta energy: -26.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -266.034599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.034599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.034599 (E_RNA)
where:
Base-Base interactions energy: -120.084
where: short stacking energy: -107.727
Base-Backbone interact. energy: -0.476
local terms energy: -145.474619
where:
bonds (distance) C4'-P energy: -35.565
bonds (distance) P-C4' energy: -42.443
flat angles C4'-P-C4' energy: -41.961
flat angles P-C4'-P energy: -28.867
tors. eta vs tors. theta energy: 3.361
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: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -248.836570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.836570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.836570 (E_RNA)
where:
Base-Base interactions energy: -106.959
where: short stacking energy: -59.294
Base-Backbone interact. energy: -1.762
local terms energy: -140.116344
where:
bonds (distance) C4'-P energy: -37.988
bonds (distance) P-C4' energy: -45.617
flat angles C4'-P-C4' energy: -47.378
flat angles P-C4'-P energy: -18.117
tors. eta vs tors. theta energy: 8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -959.734233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.734233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.734233 (E_RNA)
where:
Base-Base interactions energy: -670.681
where: short stacking energy: -262.636
Base-Backbone interact. energy: -0.913
local terms energy: -288.139941
where:
bonds (distance) C4'-P energy: -58.538
bonds (distance) P-C4' energy: -50.230
flat angles C4'-P-C4' energy: -56.922
flat angles P-C4'-P energy: -39.692
tors. eta vs tors. theta energy: -82.757
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: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -901.281948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.281948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.281948 (E_RNA)
where:
Base-Base interactions energy: -640.291
where: short stacking energy: -252.749
Base-Backbone interact. energy: 0.397
local terms energy: -261.388329
where:
bonds (distance) C4'-P energy: -50.718
bonds (distance) P-C4' energy: -48.857
flat angles C4'-P-C4' energy: -53.976
flat angles P-C4'-P energy: -37.329
tors. eta vs tors. theta energy: -70.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -862.706762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.706762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.706762 (E_RNA)
where:
Base-Base interactions energy: -581.988
where: short stacking energy: -250.632
Base-Backbone interact. energy: -1.144
local terms energy: -279.574682
where:
bonds (distance) C4'-P energy: -52.226
bonds (distance) P-C4' energy: -55.448
flat angles C4'-P-C4' energy: -61.245
flat angles P-C4'-P energy: -38.413
tors. eta vs tors. theta energy: -72.242
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: 150
Temperature: 1.050000
Total energy: -854.859636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.859636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.859636 (E_RNA)
where:
Base-Base interactions energy: -594.821
where: short stacking energy: -230.901
Base-Backbone interact. energy: -2.054
local terms energy: -257.984765
where:
bonds (distance) C4'-P energy: -54.007
bonds (distance) P-C4' energy: -54.289
flat angles C4'-P-C4' energy: -55.614
flat angles P-C4'-P energy: -34.930
tors. eta vs tors. theta energy: -59.144
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: 5, replica: 6
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -765.513385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.513385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.513385 (E_RNA)
where:
Base-Base interactions energy: -516.987
where: short stacking energy: -207.119
Base-Backbone interact. energy: -0.923
local terms energy: -247.603464
where:
bonds (distance) C4'-P energy: -45.363
bonds (distance) P-C4' energy: -54.957
flat angles C4'-P-C4' energy: -57.678
flat angles P-C4'-P energy: -33.546
tors. eta vs tors. theta energy: -56.059
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: 150
Temperature: 1.150000
Total energy: -780.562532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.562532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.562532 (E_RNA)
where:
Base-Base interactions energy: -541.457
where: short stacking energy: -222.305
Base-Backbone interact. energy: 0.542
local terms energy: -239.647121
where:
bonds (distance) C4'-P energy: -44.113
bonds (distance) P-C4' energy: -50.153
flat angles C4'-P-C4' energy: -51.616
flat angles P-C4'-P energy: -31.939
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: 7, replica: 4
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -616.922326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.922326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.922326 (E_RNA)
where:
Base-Base interactions energy: -395.276
where: short stacking energy: -190.602
Base-Backbone interact. energy: -1.621
local terms energy: -220.024579
where:
bonds (distance) C4'-P energy: -48.985
bonds (distance) P-C4' energy: -42.030
flat angles C4'-P-C4' energy: -40.999
flat angles P-C4'-P energy: -42.353
tors. eta vs tors. theta energy: -45.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -522.053143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.053143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.053143 (E_RNA)
where:
Base-Base interactions energy: -344.232
where: short stacking energy: -155.333
Base-Backbone interact. energy: -0.393
local terms energy: -177.427958
where:
bonds (distance) C4'-P energy: -38.034
bonds (distance) P-C4' energy: -44.498
flat angles C4'-P-C4' energy: -47.896
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -25.798
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: 9, replica: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -316.746244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.746244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.746244 (E_RNA)
where:
Base-Base interactions energy: -154.031
where: short stacking energy: -92.279
Base-Backbone interact. energy: 0.515
local terms energy: -163.229634
where:
bonds (distance) C4'-P energy: -44.234
bonds (distance) P-C4' energy: -44.406
flat angles C4'-P-C4' energy: -44.713
flat angles P-C4'-P energy: -20.690
tors. eta vs tors. theta energy: -9.186
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: 9
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -225.722392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.722392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.722392 (E_RNA)
where:
Base-Base interactions energy: -81.511
where: short stacking energy: -77.878
Base-Backbone interact. energy: -0.517
local terms energy: -143.694368
where:
bonds (distance) C4'-P energy: -37.091
bonds (distance) P-C4' energy: -42.924
flat angles C4'-P-C4' energy: -44.070
flat angles P-C4'-P energy: -26.864
tors. eta vs tors. theta energy: 7.255
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: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -946.682586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.682586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.682586 (E_RNA)
where:
Base-Base interactions energy: -660.896
where: short stacking energy: -261.224
Base-Backbone interact. energy: -2.523
local terms energy: -283.263147
where:
bonds (distance) C4'-P energy: -58.177
bonds (distance) P-C4' energy: -52.240
flat angles C4'-P-C4' energy: -60.329
flat angles P-C4'-P energy: -34.750
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: 151
Temperature: 0.950000
Total energy: -905.124585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.124585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.124585 (E_RNA)
where:
Base-Base interactions energy: -637.629
where: short stacking energy: -248.445
Base-Backbone interact. energy: -1.863
local terms energy: -265.632888
where:
bonds (distance) C4'-P energy: -60.409
bonds (distance) P-C4' energy: -47.847
flat angles C4'-P-C4' energy: -55.685
flat angles P-C4'-P energy: -32.264
tors. eta vs tors. theta energy: -69.428
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: 151
Temperature: 1.000000
Total energy: -876.762768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.762768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.762768 (E_RNA)
where:
Base-Base interactions energy: -619.148
where: short stacking energy: -254.033
Base-Backbone interact. energy: -0.049
local terms energy: -257.566603
where:
bonds (distance) C4'-P energy: -49.809
bonds (distance) P-C4' energy: -47.969
flat angles C4'-P-C4' energy: -56.254
flat angles P-C4'-P energy: -33.580
tors. eta vs tors. theta energy: -69.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -847.387803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.387803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.387803 (E_RNA)
where:
Base-Base interactions energy: -610.365
where: short stacking energy: -220.941
Base-Backbone interact. energy: -2.993
local terms energy: -234.029724
where:
bonds (distance) C4'-P energy: -39.114
bonds (distance) P-C4' energy: -45.860
flat angles C4'-P-C4' energy: -57.747
flat angles P-C4'-P energy: -30.671
tors. eta vs tors. theta energy: -60.638
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: 151
Temperature: 1.100000
Total energy: -758.980972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.980972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.980972 (E_RNA)
where:
Base-Base interactions energy: -516.667
where: short stacking energy: -221.188
Base-Backbone interact. energy: -0.817
local terms energy: -241.496614
where:
bonds (distance) C4'-P energy: -45.491
bonds (distance) P-C4' energy: -45.939
flat angles C4'-P-C4' energy: -53.245
flat angles P-C4'-P energy: -35.896
tors. eta vs tors. theta energy: -60.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -772.283630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.283630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.283630 (E_RNA)
where:
Base-Base interactions energy: -518.747
where: short stacking energy: -227.534
Base-Backbone interact. energy: -1.198
local terms energy: -252.339098
where:
bonds (distance) C4'-P energy: -49.162
bonds (distance) P-C4' energy: -52.204
flat angles C4'-P-C4' energy: -51.894
flat angles P-C4'-P energy: -35.946
tors. eta vs tors. theta energy: -63.133
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: 4
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -623.603763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.603763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.603763 (E_RNA)
where:
Base-Base interactions energy: -404.318
where: short stacking energy: -186.307
Base-Backbone interact. energy: -1.241
local terms energy: -218.044700
where:
bonds (distance) C4'-P energy: -41.260
bonds (distance) P-C4' energy: -47.336
flat angles C4'-P-C4' energy: -48.446
flat angles P-C4'-P energy: -28.964
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: 10
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -513.760668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.760668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.760668 (E_RNA)
where:
Base-Base interactions energy: -325.696
where: short stacking energy: -140.632
Base-Backbone interact. energy: -1.009
local terms energy: -187.054859
where:
bonds (distance) C4'-P energy: -38.162
bonds (distance) P-C4' energy: -48.837
flat angles C4'-P-C4' energy: -47.182
flat angles P-C4'-P energy: -26.017
tors. eta vs tors. theta energy: -26.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -333.947867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.947867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.947867 (E_RNA)
where:
Base-Base interactions energy: -168.798
where: short stacking energy: -98.987
Base-Backbone interact. energy: 0.898
local terms energy: -166.047185
where:
bonds (distance) C4'-P energy: -41.373
bonds (distance) P-C4' energy: -50.634
flat angles C4'-P-C4' energy: -43.185
flat angles P-C4'-P energy: -25.110
tors. eta vs tors. theta energy: -5.745
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: 151
Temperature: 1.350000
Total energy: -235.583003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.583003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.583003 (E_RNA)
where:
Base-Base interactions energy: -99.604
where: short stacking energy: -59.982
Base-Backbone interact. energy: -0.994
local terms energy: -134.984534
where:
bonds (distance) C4'-P energy: -52.839
bonds (distance) P-C4' energy: -39.905
flat angles C4'-P-C4' energy: -34.718
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: 4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -939.470545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.470545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.470545 (E_RNA)
where:
Base-Base interactions energy: -650.183
where: short stacking energy: -269.537
Base-Backbone interact. energy: -1.013
local terms energy: -288.274173
where:
bonds (distance) C4'-P energy: -48.467
bonds (distance) P-C4' energy: -57.719
flat angles C4'-P-C4' energy: -62.394
flat angles P-C4'-P energy: -39.492
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: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -908.538930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.538930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.538930 (E_RNA)
where:
Base-Base interactions energy: -624.386
where: short stacking energy: -242.656
Base-Backbone interact. energy: -2.088
local terms energy: -282.064696
where:
bonds (distance) C4'-P energy: -49.786
bonds (distance) P-C4' energy: -57.187
flat angles C4'-P-C4' energy: -59.201
flat angles P-C4'-P energy: -42.220
tors. eta vs tors. theta energy: -73.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -881.447376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.447376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.447376 (E_RNA)
where:
Base-Base interactions energy: -631.063
where: short stacking energy: -227.913
Base-Backbone interact. energy: -1.945
local terms energy: -248.438578
where:
bonds (distance) C4'-P energy: -43.702
bonds (distance) P-C4' energy: -51.746
flat angles C4'-P-C4' energy: -50.416
flat angles P-C4'-P energy: -36.441
tors. eta vs tors. theta energy: -66.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -879.682300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.682300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.682300 (E_RNA)
where:
Base-Base interactions energy: -622.312
where: short stacking energy: -260.075
Base-Backbone interact. energy: -0.825
local terms energy: -256.545427
where:
bonds (distance) C4'-P energy: -48.273
bonds (distance) P-C4' energy: -51.439
flat angles C4'-P-C4' energy: -52.773
flat angles P-C4'-P energy: -27.703
tors. eta vs tors. theta energy: -76.359
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: 152
Temperature: 1.100000
Total energy: -756.494163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.494163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.494163 (E_RNA)
where:
Base-Base interactions energy: -510.874
where: short stacking energy: -228.720
Base-Backbone interact. energy: -0.177
local terms energy: -245.442987
where:
bonds (distance) C4'-P energy: -58.184
bonds (distance) P-C4' energy: -49.005
flat angles C4'-P-C4' energy: -49.650
flat angles P-C4'-P energy: -26.245
tors. eta vs tors. theta energy: -62.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -773.802893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.802893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.802893 (E_RNA)
where:
Base-Base interactions energy: -543.175
where: short stacking energy: -217.384
Base-Backbone interact. energy: -0.321
local terms energy: -230.306654
where:
bonds (distance) C4'-P energy: -51.004
bonds (distance) P-C4' energy: -44.327
flat angles C4'-P-C4' energy: -46.747
flat angles P-C4'-P energy: -31.732
tors. eta vs tors. theta energy: -56.495
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: 10
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -563.335848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.335848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.335848 (E_RNA)
where:
Base-Base interactions energy: -358.565
where: short stacking energy: -146.597
Base-Backbone interact. energy: 0.279
local terms energy: -205.050004
where:
bonds (distance) C4'-P energy: -50.368
bonds (distance) P-C4' energy: -45.036
flat angles C4'-P-C4' energy: -49.096
flat angles P-C4'-P energy: -31.939
tors. eta vs tors. theta energy: -28.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -570.263844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.263844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.263844 (E_RNA)
where:
Base-Base interactions energy: -383.625
where: short stacking energy: -159.828
Base-Backbone interact. energy: -1.308
local terms energy: -185.330837
where:
bonds (distance) C4'-P energy: -32.049
bonds (distance) P-C4' energy: -47.785
flat angles C4'-P-C4' energy: -43.325
flat angles P-C4'-P energy: -26.845
tors. eta vs tors. theta energy: -35.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -341.723417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.723417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.723417 (E_RNA)
where:
Base-Base interactions energy: -177.315
where: short stacking energy: -98.545
Base-Backbone interact. energy: 0.098
local terms energy: -164.506786
where:
bonds (distance) C4'-P energy: -43.931
bonds (distance) P-C4' energy: -48.155
flat angles C4'-P-C4' energy: -34.307
flat angles P-C4'-P energy: -16.685
tors. eta vs tors. theta energy: -21.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -248.269509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.269509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.269509 (E_RNA)
where:
Base-Base interactions energy: -80.605
where: short stacking energy: -71.675
Base-Backbone interact. energy: -0.709
local terms energy: -166.955785
where:
bonds (distance) C4'-P energy: -41.485
bonds (distance) P-C4' energy: -62.136
flat angles C4'-P-C4' energy: -41.443
flat angles P-C4'-P energy: -21.943
tors. eta vs tors. theta energy: 0.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -947.671489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.671489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.671489 (E_RNA)
where:
Base-Base interactions energy: -657.334
where: short stacking energy: -255.619
Base-Backbone interact. energy: -2.912
local terms energy: -287.425277
where:
bonds (distance) C4'-P energy: -50.945
bonds (distance) P-C4' energy: -54.217
flat angles C4'-P-C4' energy: -60.064
flat angles P-C4'-P energy: -40.069
tors. eta vs tors. theta energy: -82.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -910.149899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.149899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.149899 (E_RNA)
where:
Base-Base interactions energy: -637.250
where: short stacking energy: -258.114
Base-Backbone interact. energy: -1.382
local terms energy: -271.517946
where:
bonds (distance) C4'-P energy: -49.587
bonds (distance) P-C4' energy: -45.985
flat angles C4'-P-C4' energy: -57.402
flat angles P-C4'-P energy: -37.718
tors. eta vs tors. theta energy: -80.827
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: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -909.180737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.180737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.180737 (E_RNA)
where:
Base-Base interactions energy: -644.746
where: short stacking energy: -234.283
Base-Backbone interact. energy: -3.446
local terms energy: -260.988446
where:
bonds (distance) C4'-P energy: -49.209
bonds (distance) P-C4' energy: -55.615
flat angles C4'-P-C4' energy: -54.155
flat angles P-C4'-P energy: -44.739
tors. eta vs tors. theta energy: -57.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -880.691010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.691010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.691010 (E_RNA)
where:
Base-Base interactions energy: -615.557
where: short stacking energy: -264.013
Base-Backbone interact. energy: 1.014
local terms energy: -266.148434
where:
bonds (distance) C4'-P energy: -43.741
bonds (distance) P-C4' energy: -47.562
flat angles C4'-P-C4' energy: -58.143
flat angles P-C4'-P energy: -39.386
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: 5, replica: 7
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -775.594930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.594930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.594930 (E_RNA)
where:
Base-Base interactions energy: -518.345
where: short stacking energy: -230.225
Base-Backbone interact. energy: 1.935
local terms energy: -259.184765
where:
bonds (distance) C4'-P energy: -50.218
bonds (distance) P-C4' energy: -52.914
flat angles C4'-P-C4' energy: -58.615
flat angles P-C4'-P energy: -30.812
tors. eta vs tors. theta energy: -66.626
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: 6, replica: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -774.560109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.560109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.560109 (E_RNA)
where:
Base-Base interactions energy: -525.887
where: short stacking energy: -214.806
Base-Backbone interact. energy: -1.806
local terms energy: -246.867511
where:
bonds (distance) C4'-P energy: -49.647
bonds (distance) P-C4' energy: -48.576
flat angles C4'-P-C4' energy: -60.347
flat angles P-C4'-P energy: -34.962
tors. eta vs tors. theta energy: -53.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -578.622730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.622730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.622730 (E_RNA)
where:
Base-Base interactions energy: -369.428
where: short stacking energy: -190.268
Base-Backbone interact. energy: 1.356
local terms energy: -210.551328
where:
bonds (distance) C4'-P energy: -43.307
bonds (distance) P-C4' energy: -49.107
flat angles C4'-P-C4' energy: -49.235
flat angles P-C4'-P energy: -30.499
tors. eta vs tors. theta energy: -38.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -544.488851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.488851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.488851 (E_RNA)
where:
Base-Base interactions energy: -317.850
where: short stacking energy: -161.178
Base-Backbone interact. energy: 0.693
local terms energy: -227.331810
where:
bonds (distance) C4'-P energy: -56.937
bonds (distance) P-C4' energy: -52.893
flat angles C4'-P-C4' energy: -47.574
flat angles P-C4'-P energy: -24.261
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: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -352.172685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.172685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.172685 (E_RNA)
where:
Base-Base interactions energy: -188.956
where: short stacking energy: -110.665
Base-Backbone interact. energy: -0.182
local terms energy: -163.034894
where:
bonds (distance) C4'-P energy: -40.848
bonds (distance) P-C4' energy: -44.823
flat angles C4'-P-C4' energy: -43.464
flat angles P-C4'-P energy: -23.919
tors. eta vs tors. theta energy: -9.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -217.718013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.718013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.718013 (E_RNA)
where:
Base-Base interactions energy: -61.003
where: short stacking energy: -54.391
Base-Backbone interact. energy: 1.958
local terms energy: -158.673763
where:
bonds (distance) C4'-P energy: -41.994
bonds (distance) P-C4' energy: -52.889
flat angles C4'-P-C4' energy: -36.845
flat angles P-C4'-P energy: -27.420
tors. eta vs tors. theta energy: 0.474
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: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -945.540647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.540647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.540647 (E_RNA)
where:
Base-Base interactions energy: -666.811
where: short stacking energy: -267.910
Base-Backbone interact. energy: -2.132
local terms energy: -276.597628
where:
bonds (distance) C4'-P energy: -46.095
bonds (distance) P-C4' energy: -54.405
flat angles C4'-P-C4' energy: -58.579
flat angles P-C4'-P energy: -39.339
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: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -925.618447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.618447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.618447 (E_RNA)
where:
Base-Base interactions energy: -644.329
where: short stacking energy: -266.076
Base-Backbone interact. energy: -1.558
local terms energy: -279.731253
where:
bonds (distance) C4'-P energy: -49.158
bonds (distance) P-C4' energy: -56.031
flat angles C4'-P-C4' energy: -61.432
flat angles P-C4'-P energy: -40.078
tors. eta vs tors. theta energy: -73.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -878.371063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.371063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.371063 (E_RNA)
where:
Base-Base interactions energy: -625.344
where: short stacking energy: -227.430
Base-Backbone interact. energy: -2.415
local terms energy: -250.612020
where:
bonds (distance) C4'-P energy: -45.421
bonds (distance) P-C4' energy: -48.621
flat angles C4'-P-C4' energy: -61.765
flat angles P-C4'-P energy: -31.420
tors. eta vs tors. theta energy: -63.385
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: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -872.525150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.525150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.525150 (E_RNA)
where:
Base-Base interactions energy: -599.025
where: short stacking energy: -259.264
Base-Backbone interact. energy: -0.582
local terms energy: -272.918549
where:
bonds (distance) C4'-P energy: -50.519
bonds (distance) P-C4' energy: -54.793
flat angles C4'-P-C4' energy: -55.164
flat angles P-C4'-P energy: -37.541
tors. eta vs tors. theta energy: -74.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -776.137835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.137835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.137835 (E_RNA)
where:
Base-Base interactions energy: -537.232
where: short stacking energy: -239.641
Base-Backbone interact. energy: -1.387
local terms energy: -237.518789
where:
bonds (distance) C4'-P energy: -34.236
bonds (distance) P-C4' energy: -43.699
flat angles C4'-P-C4' energy: -55.786
flat angles P-C4'-P energy: -34.999
tors. eta vs tors. theta energy: -68.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -739.306356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.306356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.306356 (E_RNA)
where:
Base-Base interactions energy: -504.035
where: short stacking energy: -216.033
Base-Backbone interact. energy: -2.340
local terms energy: -232.931224
where:
bonds (distance) C4'-P energy: -41.277
bonds (distance) P-C4' energy: -45.769
flat angles C4'-P-C4' energy: -51.531
flat angles P-C4'-P energy: -34.769
tors. eta vs tors. theta energy: -59.585
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: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -621.860622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.860622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.860622 (E_RNA)
where:
Base-Base interactions energy: -401.969
where: short stacking energy: -183.819
Base-Backbone interact. energy: 0.369
local terms energy: -220.260140
where:
bonds (distance) C4'-P energy: -33.981
bonds (distance) P-C4' energy: -50.900
flat angles C4'-P-C4' energy: -47.803
flat angles P-C4'-P energy: -38.143
tors. eta vs tors. theta energy: -49.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -541.518924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.518924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.518924 (E_RNA)
where:
Base-Base interactions energy: -350.493
where: short stacking energy: -136.560
Base-Backbone interact. energy: 3.123
local terms energy: -194.148877
where:
bonds (distance) C4'-P energy: -44.863
bonds (distance) P-C4' energy: -50.599
flat angles C4'-P-C4' energy: -39.062
flat angles P-C4'-P energy: -31.786
tors. eta vs tors. theta energy: -27.839
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: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -328.275057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.275057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.275057 (E_RNA)
where:
Base-Base interactions energy: -156.973
where: short stacking energy: -83.551
Base-Backbone interact. energy: 1.475
local terms energy: -172.776771
where:
bonds (distance) C4'-P energy: -48.831
bonds (distance) P-C4' energy: -49.904
flat angles C4'-P-C4' energy: -39.057
flat angles P-C4'-P energy: -34.171
tors. eta vs tors. theta energy: -0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -216.775660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.775660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.775660 (E_RNA)
where:
Base-Base interactions energy: -91.378
where: short stacking energy: -86.066
Base-Backbone interact. energy: 1.206
local terms energy: -126.603591
where:
bonds (distance) C4'-P energy: -40.803
bonds (distance) P-C4' energy: -34.953
flat angles C4'-P-C4' energy: -34.292
flat angles P-C4'-P energy: -20.333
tors. eta vs tors. theta energy: 3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -960.009297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.009297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.009297 (E_RNA)
where:
Base-Base interactions energy: -665.520
where: short stacking energy: -278.557
Base-Backbone interact. energy: -1.948
local terms energy: -292.540696
where:
bonds (distance) C4'-P energy: -54.185
bonds (distance) P-C4' energy: -43.507
flat angles C4'-P-C4' energy: -67.576
flat angles P-C4'-P energy: -48.216
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: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -939.146957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.146957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.146957 (E_RNA)
where:
Base-Base interactions energy: -666.572
where: short stacking energy: -271.092
Base-Backbone interact. energy: -2.439
local terms energy: -270.135491
where:
bonds (distance) C4'-P energy: -52.320
bonds (distance) P-C4' energy: -47.685
flat angles C4'-P-C4' energy: -50.570
flat angles P-C4'-P energy: -36.908
tors. eta vs tors. theta energy: -82.653
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: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -897.276097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.276097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.276097 (E_RNA)
where:
Base-Base interactions energy: -634.020
where: short stacking energy: -243.110
Base-Backbone interact. energy: 1.796
local terms energy: -265.052103
where:
bonds (distance) C4'-P energy: -57.054
bonds (distance) P-C4' energy: -51.272
flat angles C4'-P-C4' energy: -54.267
flat angles P-C4'-P energy: -35.755
tors. eta vs tors. theta energy: -66.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -872.570106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.570106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.570106 (E_RNA)
where:
Base-Base interactions energy: -591.020
where: short stacking energy: -245.161
Base-Backbone interact. energy: -2.413
local terms energy: -279.136771
where:
bonds (distance) C4'-P energy: -54.226
bonds (distance) P-C4' energy: -55.334
flat angles C4'-P-C4' energy: -55.303
flat angles P-C4'-P energy: -40.225
tors. eta vs tors. theta energy: -74.049
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: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -769.638390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.638390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.638390 (E_RNA)
where:
Base-Base interactions energy: -515.054
where: short stacking energy: -218.310
Base-Backbone interact. energy: 2.417
local terms energy: -257.001436
where:
bonds (distance) C4'-P energy: -43.835
bonds (distance) P-C4' energy: -57.359
flat angles C4'-P-C4' energy: -59.291
flat angles P-C4'-P energy: -30.590
tors. eta vs tors. theta energy: -65.926
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: 6, replica: 6
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -734.193729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.193729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.193729 (E_RNA)
where:
Base-Base interactions energy: -507.032
where: short stacking energy: -195.250
Base-Backbone interact. energy: -0.946
local terms energy: -226.215744
where:
bonds (distance) C4'-P energy: -46.971
bonds (distance) P-C4' energy: -51.869
flat angles C4'-P-C4' energy: -52.031
flat angles P-C4'-P energy: -31.059
tors. eta vs tors. theta energy: -44.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -651.129652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.129652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.129652 (E_RNA)
where:
Base-Base interactions energy: -424.272
where: short stacking energy: -199.827
Base-Backbone interact. energy: 2.331
local terms energy: -229.188189
where:
bonds (distance) C4'-P energy: -48.568
bonds (distance) P-C4' energy: -43.900
flat angles C4'-P-C4' energy: -48.710
flat angles P-C4'-P energy: -37.265
tors. eta vs tors. theta energy: -50.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -519.892843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.892843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.892843 (E_RNA)
where:
Base-Base interactions energy: -324.442
where: short stacking energy: -134.465
Base-Backbone interact. energy: -2.257
local terms energy: -193.193793
where:
bonds (distance) C4'-P energy: -41.364
bonds (distance) P-C4' energy: -45.544
flat angles C4'-P-C4' energy: -44.557
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -41.157
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: 155
Temperature: 1.300000
Total energy: -331.011175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.011175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.011175 (E_RNA)
where:
Base-Base interactions energy: -179.825
where: short stacking energy: -98.228
Base-Backbone interact. energy: -0.854
local terms energy: -150.332929
where:
bonds (distance) C4'-P energy: -32.512
bonds (distance) P-C4' energy: -29.068
flat angles C4'-P-C4' energy: -46.506
flat angles P-C4'-P energy: -33.398
tors. eta vs tors. theta energy: -8.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -224.324372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.324372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.324372 (E_RNA)
where:
Base-Base interactions energy: -77.508
where: short stacking energy: -73.824
Base-Backbone interact. energy: -1.451
local terms energy: -145.365808
where:
bonds (distance) C4'-P energy: -37.329
bonds (distance) P-C4' energy: -55.646
flat angles C4'-P-C4' energy: -44.489
flat angles P-C4'-P energy: -16.466
tors. eta vs tors. theta energy: 8.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -953.445658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.445658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.445658 (E_RNA)
where:
Base-Base interactions energy: -674.874
where: short stacking energy: -280.998
Base-Backbone interact. energy: 1.441
local terms energy: -280.013546
where:
bonds (distance) C4'-P energy: -41.402
bonds (distance) P-C4' energy: -54.168
flat angles C4'-P-C4' energy: -67.042
flat angles P-C4'-P energy: -40.915
tors. eta vs tors. theta energy: -76.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -907.785549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.785549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.785549 (E_RNA)
where:
Base-Base interactions energy: -636.862
where: short stacking energy: -260.140
Base-Backbone interact. energy: 1.022
local terms energy: -271.945888
where:
bonds (distance) C4'-P energy: -54.331
bonds (distance) P-C4' energy: -51.564
flat angles C4'-P-C4' energy: -53.300
flat angles P-C4'-P energy: -38.471
tors. eta vs tors. theta energy: -74.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -866.853809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.853809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.853809 (E_RNA)
where:
Base-Base interactions energy: -602.688
where: short stacking energy: -241.723
Base-Backbone interact. energy: -0.964
local terms energy: -263.200967
where:
bonds (distance) C4'-P energy: -53.292
bonds (distance) P-C4' energy: -51.964
flat angles C4'-P-C4' energy: -58.974
flat angles P-C4'-P energy: -38.982
tors. eta vs tors. theta energy: -59.989
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: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -856.925632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.925632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.925632 (E_RNA)
where:
Base-Base interactions energy: -592.441
where: short stacking energy: -249.233
Base-Backbone interact. energy: -2.005
local terms energy: -262.479721
where:
bonds (distance) C4'-P energy: -46.430
bonds (distance) P-C4' energy: -49.371
flat angles C4'-P-C4' energy: -55.587
flat angles P-C4'-P energy: -35.363
tors. eta vs tors. theta energy: -75.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -770.715016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.715016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.715016 (E_RNA)
where:
Base-Base interactions energy: -525.972
where: short stacking energy: -232.614
Base-Backbone interact. energy: -1.308
local terms energy: -243.435582
where:
bonds (distance) C4'-P energy: -39.783
bonds (distance) P-C4' energy: -45.183
flat angles C4'-P-C4' energy: -51.860
flat angles P-C4'-P energy: -33.901
tors. eta vs tors. theta energy: -72.708
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: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -722.619407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.619407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.619407 (E_RNA)
where:
Base-Base interactions energy: -482.324
where: short stacking energy: -200.518
Base-Backbone interact. energy: 0.149
local terms energy: -240.444395
where:
bonds (distance) C4'-P energy: -47.493
bonds (distance) P-C4' energy: -53.926
flat angles C4'-P-C4' energy: -43.514
flat angles P-C4'-P energy: -31.929
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: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -627.206794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.206794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.206794 (E_RNA)
where:
Base-Base interactions energy: -426.755
where: short stacking energy: -185.334
Base-Backbone interact. energy: -0.963
local terms energy: -199.488638
where:
bonds (distance) C4'-P energy: -33.607
bonds (distance) P-C4' energy: -46.942
flat angles C4'-P-C4' energy: -48.183
flat angles P-C4'-P energy: -26.286
tors. eta vs tors. theta energy: -44.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -507.485602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.485602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.485602 (E_RNA)
where:
Base-Base interactions energy: -312.425
where: short stacking energy: -113.914
Base-Backbone interact. energy: -0.687
local terms energy: -194.373382
where:
bonds (distance) C4'-P energy: -50.505
bonds (distance) P-C4' energy: -44.515
flat angles C4'-P-C4' energy: -42.188
flat angles P-C4'-P energy: -36.746
tors. eta vs tors. theta energy: -20.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -349.794711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.794711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.794711 (E_RNA)
where:
Base-Base interactions energy: -162.370
where: short stacking energy: -88.921
Base-Backbone interact. energy: -1.614
local terms energy: -185.810661
where:
bonds (distance) C4'-P energy: -52.925
bonds (distance) P-C4' energy: -44.448
flat angles C4'-P-C4' energy: -38.108
flat angles P-C4'-P energy: -36.363
tors. eta vs tors. theta energy: -13.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -237.142255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.142255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.142255 (E_RNA)
where:
Base-Base interactions energy: -72.814
where: short stacking energy: -65.149
Base-Backbone interact. energy: -0.550
local terms energy: -163.777683
where:
bonds (distance) C4'-P energy: -44.330
bonds (distance) P-C4' energy: -50.144
flat angles C4'-P-C4' energy: -30.267
flat angles P-C4'-P energy: -34.613
tors. eta vs tors. theta energy: -4.424
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: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -943.634966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.634966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.634966 (E_RNA)
where:
Base-Base interactions energy: -652.136
where: short stacking energy: -262.436
Base-Backbone interact. energy: -1.676
local terms energy: -289.822764
where:
bonds (distance) C4'-P energy: -56.466
bonds (distance) P-C4' energy: -45.295
flat angles C4'-P-C4' energy: -60.081
flat angles P-C4'-P energy: -46.367
tors. eta vs tors. theta energy: -81.614
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: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -895.607975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.607975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.607975 (E_RNA)
where:
Base-Base interactions energy: -608.707
where: short stacking energy: -250.321
Base-Backbone interact. energy: -1.958
local terms energy: -284.942805
where:
bonds (distance) C4'-P energy: -52.379
bonds (distance) P-C4' energy: -56.166
flat angles C4'-P-C4' energy: -62.144
flat angles P-C4'-P energy: -40.227
tors. eta vs tors. theta energy: -74.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -876.458702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.458702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.458702 (E_RNA)
where:
Base-Base interactions energy: -617.246
where: short stacking energy: -222.045
Base-Backbone interact. energy: -4.330
local terms energy: -254.882322
where:
bonds (distance) C4'-P energy: -48.751
bonds (distance) P-C4' energy: -36.101
flat angles C4'-P-C4' energy: -55.189
flat angles P-C4'-P energy: -49.656
tors. eta vs tors. theta energy: -65.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -805.706656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.706656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.706656 (E_RNA)
where:
Base-Base interactions energy: -547.589
where: short stacking energy: -240.274
Base-Backbone interact. energy: -1.984
local terms energy: -256.134165
where:
bonds (distance) C4'-P energy: -51.440
bonds (distance) P-C4' energy: -47.969
flat angles C4'-P-C4' energy: -53.909
flat angles P-C4'-P energy: -34.920
tors. eta vs tors. theta energy: -67.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -854.173386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.173386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.173386 (E_RNA)
where:
Base-Base interactions energy: -577.100
where: short stacking energy: -243.145
Base-Backbone interact. energy: -2.230
local terms energy: -274.842741
where:
bonds (distance) C4'-P energy: -50.522
bonds (distance) P-C4' energy: -48.611
flat angles C4'-P-C4' energy: -63.907
flat angles P-C4'-P energy: -35.009
tors. eta vs tors. theta energy: -76.793
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: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -756.567344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.567344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.567344 (E_RNA)
where:
Base-Base interactions energy: -515.903
where: short stacking energy: -210.314
Base-Backbone interact. energy: -1.547
local terms energy: -239.117214
where:
bonds (distance) C4'-P energy: -39.720
bonds (distance) P-C4' energy: -48.581
flat angles C4'-P-C4' energy: -60.833
flat angles P-C4'-P energy: -31.511
tors. eta vs tors. theta energy: -58.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -710.477933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.477933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.477933 (E_RNA)
where:
Base-Base interactions energy: -471.828
where: short stacking energy: -213.875
Base-Backbone interact. energy: -1.008
local terms energy: -237.642409
where:
bonds (distance) C4'-P energy: -49.134
bonds (distance) P-C4' energy: -50.770
flat angles C4'-P-C4' energy: -50.817
flat angles P-C4'-P energy: -32.712
tors. eta vs tors. theta energy: -54.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -539.922102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.922102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.922102 (E_RNA)
where:
Base-Base interactions energy: -343.038
where: short stacking energy: -163.257
Base-Backbone interact. energy: -2.403
local terms energy: -194.480144
where:
bonds (distance) C4'-P energy: -36.289
bonds (distance) P-C4' energy: -43.104
flat angles C4'-P-C4' energy: -50.297
flat angles P-C4'-P energy: -25.837
tors. eta vs tors. theta energy: -38.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -330.232408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.232408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.232408 (E_RNA)
where:
Base-Base interactions energy: -174.855
where: short stacking energy: -105.473
Base-Backbone interact. energy: -0.220
local terms energy: -155.157795
where:
bonds (distance) C4'-P energy: -35.381
bonds (distance) P-C4' energy: -46.086
flat angles C4'-P-C4' energy: -45.302
flat angles P-C4'-P energy: -21.182
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -226.847642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.847642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.847642 (E_RNA)
where:
Base-Base interactions energy: -84.884
where: short stacking energy: -69.270
Base-Backbone interact. energy: -1.317
local terms energy: -140.646427
where:
bonds (distance) C4'-P energy: -33.548
bonds (distance) P-C4' energy: -35.902
flat angles C4'-P-C4' energy: -40.382
flat angles P-C4'-P energy: -30.966
tors. eta vs tors. theta energy: 0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -945.311862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.311862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.311862 (E_RNA)
where:
Base-Base interactions energy: -654.228
where: short stacking energy: -276.784
Base-Backbone interact. energy: -2.339
local terms energy: -288.744808
where:
bonds (distance) C4'-P energy: -48.439
bonds (distance) P-C4' energy: -56.231
flat angles C4'-P-C4' energy: -58.828
flat angles P-C4'-P energy: -44.732
tors. eta vs tors. theta energy: -80.515
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: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -905.887703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.887703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.887703 (E_RNA)
where:
Base-Base interactions energy: -639.844
where: short stacking energy: -260.470
Base-Backbone interact. energy: 0.185
local terms energy: -266.229043
where:
bonds (distance) C4'-P energy: -49.344
bonds (distance) P-C4' energy: -57.671
flat angles C4'-P-C4' energy: -48.584
flat angles P-C4'-P energy: -39.639
tors. eta vs tors. theta energy: -70.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -874.451968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.451968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.451968 (E_RNA)
where:
Base-Base interactions energy: -628.116
where: short stacking energy: -222.624
Base-Backbone interact. energy: -3.128
local terms energy: -243.208179
where:
bonds (distance) C4'-P energy: -35.711
bonds (distance) P-C4' energy: -47.799
flat angles C4'-P-C4' energy: -54.575
flat angles P-C4'-P energy: -38.632
tors. eta vs tors. theta energy: -66.491
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: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -786.983231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.983231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.983231 (E_RNA)
where:
Base-Base interactions energy: -535.858
where: short stacking energy: -242.792
Base-Backbone interact. energy: -0.964
local terms energy: -250.161141
where:
bonds (distance) C4'-P energy: -45.659
bonds (distance) P-C4' energy: -36.611
flat angles C4'-P-C4' energy: -63.170
flat angles P-C4'-P energy: -35.723
tors. eta vs tors. theta energy: -68.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -850.057520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.057520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.057520 (E_RNA)
where:
Base-Base interactions energy: -600.317
where: short stacking energy: -254.216
Base-Backbone interact. energy: -1.392
local terms energy: -248.347835
where:
bonds (distance) C4'-P energy: -42.536
bonds (distance) P-C4' energy: -39.179
flat angles C4'-P-C4' energy: -56.575
flat angles P-C4'-P energy: -31.845
tors. eta vs tors. theta energy: -78.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -759.197306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.197306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.197306 (E_RNA)
where:
Base-Base interactions energy: -516.193
where: short stacking energy: -227.330
Base-Backbone interact. energy: 2.020
local terms energy: -245.023835
where:
bonds (distance) C4'-P energy: -44.630
bonds (distance) P-C4' energy: -41.407
flat angles C4'-P-C4' energy: -55.779
flat angles P-C4'-P energy: -31.534
tors. eta vs tors. theta energy: -71.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -725.761696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.761696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.761696 (E_RNA)
where:
Base-Base interactions energy: -496.530
where: short stacking energy: -202.884
Base-Backbone interact. energy: 0.501
local terms energy: -229.732862
where:
bonds (distance) C4'-P energy: -53.088
bonds (distance) P-C4' energy: -49.302
flat angles C4'-P-C4' energy: -49.424
flat angles P-C4'-P energy: -28.421
tors. eta vs tors. theta energy: -49.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -541.954757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.954757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.954757 (E_RNA)
where:
Base-Base interactions energy: -350.499
where: short stacking energy: -165.134
Base-Backbone interact. energy: -0.608
local terms energy: -190.847778
where:
bonds (distance) C4'-P energy: -29.017
bonds (distance) P-C4' energy: -44.622
flat angles C4'-P-C4' energy: -54.109
flat angles P-C4'-P energy: -25.708
tors. eta vs tors. theta energy: -37.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -321.398673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.398673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.398673 (E_RNA)
where:
Base-Base interactions energy: -172.523
where: short stacking energy: -102.286
Base-Backbone interact. energy: 0.694
local terms energy: -149.570227
where:
bonds (distance) C4'-P energy: -46.803
bonds (distance) P-C4' energy: -39.587
flat angles C4'-P-C4' energy: -38.001
flat angles P-C4'-P energy: -24.540
tors. eta vs tors. theta energy: -0.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -244.550595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.550595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.550595 (E_RNA)
where:
Base-Base interactions energy: -86.555
where: short stacking energy: -78.564
Base-Backbone interact. energy: -0.567
local terms energy: -157.428265
where:
bonds (distance) C4'-P energy: -44.374
bonds (distance) P-C4' energy: -39.041
flat angles C4'-P-C4' energy: -40.687
flat angles P-C4'-P energy: -28.503
tors. eta vs tors. theta energy: -4.823
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: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -945.081075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.081075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.081075 (E_RNA)
where:
Base-Base interactions energy: -667.370
where: short stacking energy: -261.688
Base-Backbone interact. energy: -1.892
local terms energy: -275.819492
where:
bonds (distance) C4'-P energy: -47.290
bonds (distance) P-C4' energy: -54.080
flat angles C4'-P-C4' energy: -58.033
flat angles P-C4'-P energy: -43.149
tors. eta vs tors. theta energy: -73.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -900.848153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.848153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.848153 (E_RNA)
where:
Base-Base interactions energy: -633.385
where: short stacking energy: -256.173
Base-Backbone interact. energy: -2.390
local terms energy: -265.073918
where:
bonds (distance) C4'-P energy: -50.971
bonds (distance) P-C4' energy: -49.416
flat angles C4'-P-C4' energy: -53.456
flat angles P-C4'-P energy: -37.796
tors. eta vs tors. theta energy: -73.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -899.546977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.546977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.546977 (E_RNA)
where:
Base-Base interactions energy: -635.024
where: short stacking energy: -243.644
Base-Backbone interact. energy: 1.599
local terms energy: -266.122385
where:
bonds (distance) C4'-P energy: -48.530
bonds (distance) P-C4' energy: -51.180
flat angles C4'-P-C4' energy: -59.222
flat angles P-C4'-P energy: -37.709
tors. eta vs tors. theta energy: -69.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -878.871796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.871796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.871796 (E_RNA)
where:
Base-Base interactions energy: -623.912
where: short stacking energy: -261.405
Base-Backbone interact. energy: -1.445
local terms energy: -253.515213
where:
bonds (distance) C4'-P energy: -48.596
bonds (distance) P-C4' energy: -41.963
flat angles C4'-P-C4' energy: -55.016
flat angles P-C4'-P energy: -35.747
tors. eta vs tors. theta energy: -72.193
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: 5, replica: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -791.909386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.909386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.909386 (E_RNA)
where:
Base-Base interactions energy: -523.232
where: short stacking energy: -216.483
Base-Backbone interact. energy: -1.554
local terms energy: -267.124042
where:
bonds (distance) C4'-P energy: -51.261
bonds (distance) P-C4' energy: -51.627
flat angles C4'-P-C4' energy: -60.784
flat angles P-C4'-P energy: -37.569
tors. eta vs tors. theta energy: -65.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -751.660100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.660100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.660100 (E_RNA)
where:
Base-Base interactions energy: -505.081
where: short stacking energy: -222.845
Base-Backbone interact. energy: -1.658
local terms energy: -244.920877
where:
bonds (distance) C4'-P energy: -41.943
bonds (distance) P-C4' energy: -44.046
flat angles C4'-P-C4' energy: -55.257
flat angles P-C4'-P energy: -45.078
tors. eta vs tors. theta energy: -58.596
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: 7, replica: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -687.814802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.814802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.814802 (E_RNA)
where:
Base-Base interactions energy: -455.393
where: short stacking energy: -217.387
Base-Backbone interact. energy: -0.552
local terms energy: -231.869693
where:
bonds (distance) C4'-P energy: -34.280
bonds (distance) P-C4' energy: -54.941
flat angles C4'-P-C4' energy: -53.934
flat angles P-C4'-P energy: -31.787
tors. eta vs tors. theta energy: -56.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -550.705282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.705282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.705282 (E_RNA)
where:
Base-Base interactions energy: -351.015
where: short stacking energy: -163.351
Base-Backbone interact. energy: 2.660
local terms energy: -202.350799
where:
bonds (distance) C4'-P energy: -36.525
bonds (distance) P-C4' energy: -41.907
flat angles C4'-P-C4' energy: -54.127
flat angles P-C4'-P energy: -26.240
tors. eta vs tors. theta energy: -43.551
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: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -335.570115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.570115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.570115 (E_RNA)
where:
Base-Base interactions energy: -174.542
where: short stacking energy: -94.901
Base-Backbone interact. energy: 1.723
local terms energy: -162.750406
where:
bonds (distance) C4'-P energy: -43.348
bonds (distance) P-C4' energy: -33.432
flat angles C4'-P-C4' energy: -43.426
flat angles P-C4'-P energy: -35.404
tors. eta vs tors. theta energy: -7.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -225.283641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.283641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.283641 (E_RNA)
where:
Base-Base interactions energy: -86.753
where: short stacking energy: -67.122
Base-Backbone interact. energy: -0.766
local terms energy: -137.764883
where:
bonds (distance) C4'-P energy: -34.919
bonds (distance) P-C4' energy: -32.451
flat angles C4'-P-C4' energy: -46.312
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: -1.139
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: 3
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -933.107071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.107071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.107071 (E_RNA)
where:
Base-Base interactions energy: -650.233
where: short stacking energy: -239.885
Base-Backbone interact. energy: -2.457
local terms energy: -280.417353
where:
bonds (distance) C4'-P energy: -53.226
bonds (distance) P-C4' energy: -45.087
flat angles C4'-P-C4' energy: -60.631
flat angles P-C4'-P energy: -44.635
tors. eta vs tors. theta energy: -76.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -891.034533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.034533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.034533 (E_RNA)
where:
Base-Base interactions energy: -626.438
where: short stacking energy: -244.960
Base-Backbone interact. energy: -0.644
local terms energy: -263.953053
where:
bonds (distance) C4'-P energy: -55.665
bonds (distance) P-C4' energy: -51.459
flat angles C4'-P-C4' energy: -53.000
flat angles P-C4'-P energy: -37.403
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: 3, replica: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -888.882859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.882859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.882859 (E_RNA)
where:
Base-Base interactions energy: -605.907
where: short stacking energy: -258.845
Base-Backbone interact. energy: -2.597
local terms energy: -280.379057
where:
bonds (distance) C4'-P energy: -57.737
bonds (distance) P-C4' energy: -47.691
flat angles C4'-P-C4' energy: -59.084
flat angles P-C4'-P energy: -36.919
tors. eta vs tors. theta energy: -78.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -857.758015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.758015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.758015 (E_RNA)
where:
Base-Base interactions energy: -600.816
where: short stacking energy: -214.031
Base-Backbone interact. energy: 0.459
local terms energy: -257.401086
where:
bonds (distance) C4'-P energy: -51.121
bonds (distance) P-C4' energy: -47.937
flat angles C4'-P-C4' energy: -63.408
flat angles P-C4'-P energy: -38.090
tors. eta vs tors. theta energy: -56.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -788.303413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.303413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.303413 (E_RNA)
where:
Base-Base interactions energy: -548.436
where: short stacking energy: -236.456
Base-Backbone interact. energy: 3.799
local terms energy: -243.666522
where:
bonds (distance) C4'-P energy: -48.289
bonds (distance) P-C4' energy: -49.265
flat angles C4'-P-C4' energy: -50.892
flat angles P-C4'-P energy: -27.025
tors. eta vs tors. theta energy: -68.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -772.264312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.264312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.264312 (E_RNA)
where:
Base-Base interactions energy: -515.470
where: short stacking energy: -236.449
Base-Backbone interact. energy: -0.506
local terms energy: -256.288543
where:
bonds (distance) C4'-P energy: -47.941
bonds (distance) P-C4' energy: -51.964
flat angles C4'-P-C4' energy: -46.405
flat angles P-C4'-P energy: -37.693
tors. eta vs tors. theta energy: -72.286
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: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -702.374832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.374832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.374832 (E_RNA)
where:
Base-Base interactions energy: -480.974
where: short stacking energy: -202.359
Base-Backbone interact. energy: -1.401
local terms energy: -220.000014
where:
bonds (distance) C4'-P energy: -47.184
bonds (distance) P-C4' energy: -44.483
flat angles C4'-P-C4' energy: -48.971
flat angles P-C4'-P energy: -28.407
tors. eta vs tors. theta energy: -50.955
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: 4
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -574.450390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.450390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.450390 (E_RNA)
where:
Base-Base interactions energy: -374.292
where: short stacking energy: -162.299
Base-Backbone interact. energy: -1.797
local terms energy: -198.361519
where:
bonds (distance) C4'-P energy: -42.696
bonds (distance) P-C4' energy: -51.762
flat angles C4'-P-C4' energy: -44.231
flat angles P-C4'-P energy: -27.531
tors. eta vs tors. theta energy: -32.142
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: 160
Temperature: 1.300000
Total energy: -335.692195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.692195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.692195 (E_RNA)
where:
Base-Base interactions energy: -152.770
where: short stacking energy: -96.822
Base-Backbone interact. energy: -0.954
local terms energy: -181.968052
where:
bonds (distance) C4'-P energy: -52.239
bonds (distance) P-C4' energy: -49.273
flat angles C4'-P-C4' energy: -48.769
flat angles P-C4'-P energy: -27.943
tors. eta vs tors. theta energy: -3.744
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: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -244.931201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.931201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.931201 (E_RNA)
where:
Base-Base interactions energy: -98.705
where: short stacking energy: -75.250
Base-Backbone interact. energy: -0.370
local terms energy: -145.856032
where:
bonds (distance) C4'-P energy: -38.608
bonds (distance) P-C4' energy: -45.276
flat angles C4'-P-C4' energy: -31.869
flat angles P-C4'-P energy: -22.524
tors. eta vs tors. theta energy: -7.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -931.418568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.418568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.418568 (E_RNA)
where:
Base-Base interactions energy: -632.953
where: short stacking energy: -263.584
Base-Backbone interact. energy: -1.421
local terms energy: -297.044985
where:
bonds (distance) C4'-P energy: -53.334
bonds (distance) P-C4' energy: -58.250
flat angles C4'-P-C4' energy: -59.791
flat angles P-C4'-P energy: -44.451
tors. eta vs tors. theta energy: -81.218
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: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -907.479986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.479986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.479986 (E_RNA)
where:
Base-Base interactions energy: -623.336
where: short stacking energy: -257.493
Base-Backbone interact. energy: -1.370
local terms energy: -282.773285
where:
bonds (distance) C4'-P energy: -57.790
bonds (distance) P-C4' energy: -50.612
flat angles C4'-P-C4' energy: -60.582
flat angles P-C4'-P energy: -36.416
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: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -895.749543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.749543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.749543 (E_RNA)
where:
Base-Base interactions energy: -634.200
where: short stacking energy: -242.981
Base-Backbone interact. energy: 0.030
local terms energy: -261.579671
where:
bonds (distance) C4'-P energy: -54.582
bonds (distance) P-C4' energy: -54.990
flat angles C4'-P-C4' energy: -55.086
flat angles P-C4'-P energy: -33.188
tors. eta vs tors. theta energy: -63.734
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: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -861.775306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.775306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.775306 (E_RNA)
where:
Base-Base interactions energy: -608.900
where: short stacking energy: -232.257
Base-Backbone interact. energy: -3.085
local terms energy: -249.790352
where:
bonds (distance) C4'-P energy: -50.845
bonds (distance) P-C4' energy: -46.025
flat angles C4'-P-C4' energy: -56.120
flat angles P-C4'-P energy: -35.598
tors. eta vs tors. theta energy: -61.202
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: 6
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -782.256013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.256013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.256013 (E_RNA)
where:
Base-Base interactions energy: -539.488
where: short stacking energy: -231.681
Base-Backbone interact. energy: 0.958
local terms energy: -243.725264
where:
bonds (distance) C4'-P energy: -43.905
bonds (distance) P-C4' energy: -41.395
flat angles C4'-P-C4' energy: -55.847
flat angles P-C4'-P energy: -31.130
tors. eta vs tors. theta energy: -71.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -734.539899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.539899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.539899 (E_RNA)
where:
Base-Base interactions energy: -498.169
where: short stacking energy: -211.588
Base-Backbone interact. energy: -0.811
local terms energy: -235.559283
where:
bonds (distance) C4'-P energy: -39.807
bonds (distance) P-C4' energy: -43.903
flat angles C4'-P-C4' energy: -59.661
flat angles P-C4'-P energy: -39.858
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: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -755.271971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.271971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.271971 (E_RNA)
where:
Base-Base interactions energy: -500.432
where: short stacking energy: -226.769
Base-Backbone interact. energy: -0.745
local terms energy: -254.094525
where:
bonds (distance) C4'-P energy: -44.872
bonds (distance) P-C4' energy: -47.287
flat angles C4'-P-C4' energy: -55.104
flat angles P-C4'-P energy: -37.545
tors. eta vs tors. theta energy: -69.287
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: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -559.468768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.468768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.468768 (E_RNA)
where:
Base-Base interactions energy: -370.992
where: short stacking energy: -153.049
Base-Backbone interact. energy: -2.268
local terms energy: -186.209329
where:
bonds (distance) C4'-P energy: -39.627
bonds (distance) P-C4' energy: -48.962
flat angles C4'-P-C4' energy: -46.094
flat angles P-C4'-P energy: -20.640
tors. eta vs tors. theta energy: -30.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -295.856110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.856110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.856110 (E_RNA)
where:
Base-Base interactions energy: -140.807
where: short stacking energy: -105.359
Base-Backbone interact. energy: 3.146
local terms energy: -158.195487
where:
bonds (distance) C4'-P energy: -42.600
bonds (distance) P-C4' energy: -45.116
flat angles C4'-P-C4' energy: -30.115
flat angles P-C4'-P energy: -20.795
tors. eta vs tors. theta energy: -19.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -238.704776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.704776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.704776 (E_RNA)
where:
Base-Base interactions energy: -75.137
where: short stacking energy: -70.632
Base-Backbone interact. energy: -0.582
local terms energy: -162.985376
where:
bonds (distance) C4'-P energy: -54.624
bonds (distance) P-C4' energy: -48.968
flat angles C4'-P-C4' energy: -35.616
flat angles P-C4'-P energy: -24.126
tors. eta vs tors. theta energy: 0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -951.988235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.988235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.988235 (E_RNA)
where:
Base-Base interactions energy: -653.327
where: short stacking energy: -278.161
Base-Backbone interact. energy: -1.827
local terms energy: -296.833581
where:
bonds (distance) C4'-P energy: -47.289
bonds (distance) P-C4' energy: -58.877
flat angles C4'-P-C4' energy: -64.021
flat angles P-C4'-P energy: -45.662
tors. eta vs tors. theta energy: -80.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -929.374835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.374835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.374835 (E_RNA)
where:
Base-Base interactions energy: -628.159
where: short stacking energy: -274.156
Base-Backbone interact. energy: -1.674
local terms energy: -299.542398
where:
bonds (distance) C4'-P energy: -60.219
bonds (distance) P-C4' energy: -57.147
flat angles C4'-P-C4' energy: -62.334
flat angles P-C4'-P energy: -40.469
tors. eta vs tors. theta energy: -79.374
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: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -882.092187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.092187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.092187 (E_RNA)
where:
Base-Base interactions energy: -641.480
where: short stacking energy: -244.247
Base-Backbone interact. energy: -1.015
local terms energy: -239.597328
where:
bonds (distance) C4'-P energy: -57.150
bonds (distance) P-C4' energy: -40.891
flat angles C4'-P-C4' energy: -45.341
flat angles P-C4'-P energy: -26.860
tors. eta vs tors. theta energy: -69.356
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: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -857.078300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.078300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.078300 (E_RNA)
where:
Base-Base interactions energy: -615.226
where: short stacking energy: -240.051
Base-Backbone interact. energy: -0.064
local terms energy: -241.788606
where:
bonds (distance) C4'-P energy: -51.069
bonds (distance) P-C4' energy: -51.458
flat angles C4'-P-C4' energy: -53.818
flat angles P-C4'-P energy: -25.631
tors. eta vs tors. theta energy: -59.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -766.592449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.592449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.592449 (E_RNA)
where:
Base-Base interactions energy: -513.470
where: short stacking energy: -231.951
Base-Backbone interact. energy: -1.132
local terms energy: -251.989914
where:
bonds (distance) C4'-P energy: -53.805
bonds (distance) P-C4' energy: -48.104
flat angles C4'-P-C4' energy: -51.375
flat angles P-C4'-P energy: -33.649
tors. eta vs tors. theta energy: -65.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -739.821483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.821483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.821483 (E_RNA)
where:
Base-Base interactions energy: -491.469
where: short stacking energy: -212.805
Base-Backbone interact. energy: -0.329
local terms energy: -248.023580
where:
bonds (distance) C4'-P energy: -49.014
bonds (distance) P-C4' energy: -51.089
flat angles C4'-P-C4' energy: -60.244
flat angles P-C4'-P energy: -28.477
tors. eta vs tors. theta energy: -59.199
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: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -695.699803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.699803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.699803 (E_RNA)
where:
Base-Base interactions energy: -451.322
where: short stacking energy: -201.202
Base-Backbone interact. energy: -2.228
local terms energy: -242.150275
where:
bonds (distance) C4'-P energy: -55.097
bonds (distance) P-C4' energy: -52.558
flat angles C4'-P-C4' energy: -43.999
flat angles P-C4'-P energy: -26.380
tors. eta vs tors. theta energy: -64.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -501.988718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.988718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.988718 (E_RNA)
where:
Base-Base interactions energy: -296.921
where: short stacking energy: -136.999
Base-Backbone interact. energy: 3.778
local terms energy: -208.845977
where:
bonds (distance) C4'-P energy: -47.622
bonds (distance) P-C4' energy: -42.712
flat angles C4'-P-C4' energy: -53.292
flat angles P-C4'-P energy: -32.772
tors. eta vs tors. theta energy: -32.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -264.894801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.894801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.894801 (E_RNA)
where:
Base-Base interactions energy: -83.314
where: short stacking energy: -73.174
Base-Backbone interact. energy: -0.348
local terms energy: -181.232325
where:
bonds (distance) C4'-P energy: -47.451
bonds (distance) P-C4' energy: -52.382
flat angles C4'-P-C4' energy: -47.419
flat angles P-C4'-P energy: -29.419
tors. eta vs tors. theta energy: -4.562
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: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -251.704975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.704975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.704975 (E_RNA)
where:
Base-Base interactions energy: -110.019
where: short stacking energy: -77.052
Base-Backbone interact. energy: 0.862
local terms energy: -142.547290
where:
bonds (distance) C4'-P energy: -46.854
bonds (distance) P-C4' energy: -36.919
flat angles C4'-P-C4' energy: -37.004
flat angles P-C4'-P energy: -26.021
tors. eta vs tors. theta energy: 4.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -945.226818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.226818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.226818 (E_RNA)
where:
Base-Base interactions energy: -653.167
where: short stacking energy: -277.629
Base-Backbone interact. energy: -1.034
local terms energy: -291.026350
where:
bonds (distance) C4'-P energy: -47.067
bonds (distance) P-C4' energy: -58.290
flat angles C4'-P-C4' energy: -61.853
flat angles P-C4'-P energy: -39.611
tors. eta vs tors. theta energy: -84.206
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: 2, replica: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -926.836263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.836263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.836263 (E_RNA)
where:
Base-Base interactions energy: -662.706
where: short stacking energy: -256.637
Base-Backbone interact. energy: -3.624
local terms energy: -260.505673
where:
bonds (distance) C4'-P energy: -44.073
bonds (distance) P-C4' energy: -45.823
flat angles C4'-P-C4' energy: -60.946
flat angles P-C4'-P energy: -32.728
tors. eta vs tors. theta energy: -76.936
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: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -892.171155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.171155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.171155 (E_RNA)
where:
Base-Base interactions energy: -626.309
where: short stacking energy: -240.163
Base-Backbone interact. energy: -1.626
local terms energy: -264.236457
where:
bonds (distance) C4'-P energy: -51.028
bonds (distance) P-C4' energy: -47.146
flat angles C4'-P-C4' energy: -56.566
flat angles P-C4'-P energy: -32.854
tors. eta vs tors. theta energy: -76.642
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: 163
Temperature: 1.050000
Total energy: -865.061958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.061958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.061958 (E_RNA)
where:
Base-Base interactions energy: -603.891
where: short stacking energy: -247.406
Base-Backbone interact. energy: -3.072
local terms energy: -258.099131
where:
bonds (distance) C4'-P energy: -45.946
bonds (distance) P-C4' energy: -48.495
flat angles C4'-P-C4' energy: -62.340
flat angles P-C4'-P energy: -30.077
tors. eta vs tors. theta energy: -71.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -773.876437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.876437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.876437 (E_RNA)
where:
Base-Base interactions energy: -509.173
where: short stacking energy: -212.030
Base-Backbone interact. energy: -1.379
local terms energy: -263.324906
where:
bonds (distance) C4'-P energy: -56.463
bonds (distance) P-C4' energy: -56.834
flat angles C4'-P-C4' energy: -52.083
flat angles P-C4'-P energy: -33.519
tors. eta vs tors. theta energy: -64.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -711.717262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.717262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.717262 (E_RNA)
where:
Base-Base interactions energy: -479.214
where: short stacking energy: -199.909
Base-Backbone interact. energy: 0.204
local terms energy: -232.707353
where:
bonds (distance) C4'-P energy: -48.815
bonds (distance) P-C4' energy: -49.224
flat angles C4'-P-C4' energy: -51.931
flat angles P-C4'-P energy: -27.773
tors. eta vs tors. theta energy: -54.965
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: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -715.856601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.856601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.856601 (E_RNA)
where:
Base-Base interactions energy: -478.473
where: short stacking energy: -206.328
Base-Backbone interact. energy: 1.847
local terms energy: -239.230865
where:
bonds (distance) C4'-P energy: -51.504
bonds (distance) P-C4' energy: -49.260
flat angles C4'-P-C4' energy: -50.811
flat angles P-C4'-P energy: -26.190
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: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -491.909072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.909072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.909072 (E_RNA)
where:
Base-Base interactions energy: -309.329
where: short stacking energy: -141.963
Base-Backbone interact. energy: -1.655
local terms energy: -180.925188
where:
bonds (distance) C4'-P energy: -31.914
bonds (distance) P-C4' energy: -46.135
flat angles C4'-P-C4' energy: -47.199
flat angles P-C4'-P energy: -35.436
tors. eta vs tors. theta energy: -20.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -249.413767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.413767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.413767 (E_RNA)
where:
Base-Base interactions energy: -90.995
where: short stacking energy: -57.081
Base-Backbone interact. energy: 0.068
local terms energy: -158.486372
where:
bonds (distance) C4'-P energy: -49.933
bonds (distance) P-C4' energy: -50.426
flat angles C4'-P-C4' energy: -35.714
flat angles P-C4'-P energy: -32.031
tors. eta vs tors. theta energy: 9.618
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: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -250.793414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.793414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.793414 (E_RNA)
where:
Base-Base interactions energy: -111.705
where: short stacking energy: -71.174
Base-Backbone interact. energy: 8.469
local terms energy: -147.557138
where:
bonds (distance) C4'-P energy: -43.243
bonds (distance) P-C4' energy: -46.354
flat angles C4'-P-C4' energy: -45.814
flat angles P-C4'-P energy: -19.029
tors. eta vs tors. theta energy: 6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -946.333914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.333914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.333914 (E_RNA)
where:
Base-Base interactions energy: -656.317
where: short stacking energy: -273.586
Base-Backbone interact. energy: -1.607
local terms energy: -288.409985
where:
bonds (distance) C4'-P energy: -55.460
bonds (distance) P-C4' energy: -54.904
flat angles C4'-P-C4' energy: -61.001
flat angles P-C4'-P energy: -33.855
tors. eta vs tors. theta energy: -83.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -906.880911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.880911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.880911 (E_RNA)
where:
Base-Base interactions energy: -619.495
where: short stacking energy: -258.990
Base-Backbone interact. energy: -0.992
local terms energy: -286.394148
where:
bonds (distance) C4'-P energy: -51.768
bonds (distance) P-C4' energy: -58.507
flat angles C4'-P-C4' energy: -63.206
flat angles P-C4'-P energy: -40.026
tors. eta vs tors. theta energy: -72.888
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: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -890.344136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.344136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.344136 (E_RNA)
where:
Base-Base interactions energy: -638.269
where: short stacking energy: -244.402
Base-Backbone interact. energy: -1.859
local terms energy: -250.215864
where:
bonds (distance) C4'-P energy: -48.866
bonds (distance) P-C4' energy: -37.307
flat angles C4'-P-C4' energy: -57.000
flat angles P-C4'-P energy: -34.411
tors. eta vs tors. theta energy: -72.633
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: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -890.605269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.605269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.605269 (E_RNA)
where:
Base-Base interactions energy: -618.862
where: short stacking energy: -237.735
Base-Backbone interact. energy: -1.921
local terms energy: -269.822042
where:
bonds (distance) C4'-P energy: -46.126
bonds (distance) P-C4' energy: -53.727
flat angles C4'-P-C4' energy: -61.910
flat angles P-C4'-P energy: -41.845
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: 5, replica: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -761.474056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.474056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.474056 (E_RNA)
where:
Base-Base interactions energy: -513.690
where: short stacking energy: -217.934
Base-Backbone interact. energy: -0.328
local terms energy: -247.456125
where:
bonds (distance) C4'-P energy: -42.994
bonds (distance) P-C4' energy: -51.075
flat angles C4'-P-C4' energy: -53.796
flat angles P-C4'-P energy: -35.862
tors. eta vs tors. theta energy: -63.729
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: 6, replica: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -747.892979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.892979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.892979 (E_RNA)
where:
Base-Base interactions energy: -501.349
where: short stacking energy: -217.816
Base-Backbone interact. energy: -0.991
local terms energy: -245.552905
where:
bonds (distance) C4'-P energy: -48.966
bonds (distance) P-C4' energy: -47.257
flat angles C4'-P-C4' energy: -47.633
flat angles P-C4'-P energy: -35.507
tors. eta vs tors. theta energy: -66.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -702.467671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.467671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.467671 (E_RNA)
where:
Base-Base interactions energy: -461.956
where: short stacking energy: -218.115
Base-Backbone interact. energy: -0.625
local terms energy: -239.887274
where:
bonds (distance) C4'-P energy: -42.593
bonds (distance) P-C4' energy: -48.397
flat angles C4'-P-C4' energy: -55.553
flat angles P-C4'-P energy: -39.249
tors. eta vs tors. theta energy: -54.096
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: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -540.174948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.174948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.174948 (E_RNA)
where:
Base-Base interactions energy: -341.303
where: short stacking energy: -151.228
Base-Backbone interact. energy: -0.622
local terms energy: -198.250399
where:
bonds (distance) C4'-P energy: -34.494
bonds (distance) P-C4' energy: -48.056
flat angles C4'-P-C4' energy: -47.093
flat angles P-C4'-P energy: -29.988
tors. eta vs tors. theta energy: -38.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -275.111380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.111380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.111380 (E_RNA)
where:
Base-Base interactions energy: -105.420
where: short stacking energy: -77.017
Base-Backbone interact. energy: -2.977
local terms energy: -166.714789
where:
bonds (distance) C4'-P energy: -45.789
bonds (distance) P-C4' energy: -41.251
flat angles C4'-P-C4' energy: -47.557
flat angles P-C4'-P energy: -23.999
tors. eta vs tors. theta energy: -8.118
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: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -212.116877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.116877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.116877 (E_RNA)
where:
Base-Base interactions energy: -80.486
where: short stacking energy: -71.414
Base-Backbone interact. energy: 2.310
local terms energy: -133.940425
where:
bonds (distance) C4'-P energy: -35.873
bonds (distance) P-C4' energy: -39.433
flat angles C4'-P-C4' energy: -43.510
flat angles P-C4'-P energy: -20.615
tors. eta vs tors. theta energy: 5.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -936.766444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.766444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.766444 (E_RNA)
where:
Base-Base interactions energy: -635.744
where: short stacking energy: -276.651
Base-Backbone interact. energy: -0.228
local terms energy: -300.794319
where:
bonds (distance) C4'-P energy: -52.561
bonds (distance) P-C4' energy: -61.368
flat angles C4'-P-C4' energy: -56.458
flat angles P-C4'-P energy: -47.045
tors. eta vs tors. theta energy: -83.363
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: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -899.689720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.689720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.689720 (E_RNA)
where:
Base-Base interactions energy: -622.761
where: short stacking energy: -235.335
Base-Backbone interact. energy: -1.395
local terms energy: -275.533561
where:
bonds (distance) C4'-P energy: -59.785
bonds (distance) P-C4' energy: -52.774
flat angles C4'-P-C4' energy: -57.502
flat angles P-C4'-P energy: -35.056
tors. eta vs tors. theta energy: -70.417
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: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -896.912124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.912124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.912124 (E_RNA)
where:
Base-Base interactions energy: -633.291
where: short stacking energy: -265.904
Base-Backbone interact. energy: -0.480
local terms energy: -263.141210
where:
bonds (distance) C4'-P energy: -43.941
bonds (distance) P-C4' energy: -49.907
flat angles C4'-P-C4' energy: -63.370
flat angles P-C4'-P energy: -35.420
tors. eta vs tors. theta energy: -70.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -833.061841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.061841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.061841 (E_RNA)
where:
Base-Base interactions energy: -569.883
where: short stacking energy: -221.803
Base-Backbone interact. energy: -1.117
local terms energy: -262.062682
where:
bonds (distance) C4'-P energy: -47.281
bonds (distance) P-C4' energy: -55.248
flat angles C4'-P-C4' energy: -49.372
flat angles P-C4'-P energy: -40.257
tors. eta vs tors. theta energy: -69.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -750.751226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.751226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.751226 (E_RNA)
where:
Base-Base interactions energy: -504.793
where: short stacking energy: -214.426
Base-Backbone interact. energy: 0.007
local terms energy: -245.965118
where:
bonds (distance) C4'-P energy: -50.532
bonds (distance) P-C4' energy: -57.035
flat angles C4'-P-C4' energy: -50.136
flat angles P-C4'-P energy: -27.514
tors. eta vs tors. theta energy: -60.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -717.310510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.310510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.310510 (E_RNA)
where:
Base-Base interactions energy: -488.074
where: short stacking energy: -199.109
Base-Backbone interact. energy: -1.713
local terms energy: -227.523205
where:
bonds (distance) C4'-P energy: -36.100
bonds (distance) P-C4' energy: -54.554
flat angles C4'-P-C4' energy: -45.369
flat angles P-C4'-P energy: -35.856
tors. eta vs tors. theta energy: -55.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -734.760879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.760879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.760879 (E_RNA)
where:
Base-Base interactions energy: -518.223
where: short stacking energy: -221.528
Base-Backbone interact. energy: 3.825
local terms energy: -220.362336
where:
bonds (distance) C4'-P energy: -28.810
bonds (distance) P-C4' energy: -50.477
flat angles C4'-P-C4' energy: -50.125
flat angles P-C4'-P energy: -33.605
tors. eta vs tors. theta energy: -57.344
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: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -539.966415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.966415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.966415 (E_RNA)
where:
Base-Base interactions energy: -331.476
where: short stacking energy: -156.558
Base-Backbone interact. energy: -0.979
local terms energy: -207.511132
where:
bonds (distance) C4'-P energy: -36.578
bonds (distance) P-C4' energy: -48.301
flat angles C4'-P-C4' energy: -49.986
flat angles P-C4'-P energy: -31.577
tors. eta vs tors. theta energy: -41.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -245.240164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.240164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.240164 (E_RNA)
where:
Base-Base interactions energy: -90.579
where: short stacking energy: -62.545
Base-Backbone interact. energy: -0.191
local terms energy: -154.470250
where:
bonds (distance) C4'-P energy: -52.393
bonds (distance) P-C4' energy: -48.853
flat angles C4'-P-C4' energy: -37.916
flat angles P-C4'-P energy: -19.073
tors. eta vs tors. theta energy: 3.765
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: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -234.447746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.447746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.447746 (E_RNA)
where:
Base-Base interactions energy: -78.422
where: short stacking energy: -75.183
Base-Backbone interact. energy: -0.829
local terms energy: -155.196124
where:
bonds (distance) C4'-P energy: -41.423
bonds (distance) P-C4' energy: -48.266
flat angles C4'-P-C4' energy: -39.837
flat angles P-C4'-P energy: -27.558
tors. eta vs tors. theta energy: 1.887
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: 166
Temperature: 0.900000
Total energy: -935.910211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.910211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.910211 (E_RNA)
where:
Base-Base interactions energy: -642.573
where: short stacking energy: -270.297
Base-Backbone interact. energy: -1.648
local terms energy: -291.689539
where:
bonds (distance) C4'-P energy: -52.314
bonds (distance) P-C4' energy: -48.958
flat angles C4'-P-C4' energy: -61.944
flat angles P-C4'-P energy: -44.597
tors. eta vs tors. theta energy: -83.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -925.204702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.204702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.204702 (E_RNA)
where:
Base-Base interactions energy: -650.837
where: short stacking energy: -258.213
Base-Backbone interact. energy: -2.942
local terms energy: -271.425893
where:
bonds (distance) C4'-P energy: -46.383
bonds (distance) P-C4' energy: -55.005
flat angles C4'-P-C4' energy: -60.691
flat angles P-C4'-P energy: -35.639
tors. eta vs tors. theta energy: -73.708
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: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -849.545745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.545745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.545745 (E_RNA)
where:
Base-Base interactions energy: -582.567
where: short stacking energy: -249.495
Base-Backbone interact. energy: -2.166
local terms energy: -264.812252
where:
bonds (distance) C4'-P energy: -49.450
bonds (distance) P-C4' energy: -52.084
flat angles C4'-P-C4' energy: -55.210
flat angles P-C4'-P energy: -39.455
tors. eta vs tors. theta energy: -68.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -851.714331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.714331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.714331 (E_RNA)
where:
Base-Base interactions energy: -586.846
where: short stacking energy: -246.642
Base-Backbone interact. energy: -1.786
local terms energy: -263.082647
where:
bonds (distance) C4'-P energy: -55.698
bonds (distance) P-C4' energy: -50.464
flat angles C4'-P-C4' energy: -48.197
flat angles P-C4'-P energy: -33.694
tors. eta vs tors. theta energy: -75.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -764.596423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.596423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.596423 (E_RNA)
where:
Base-Base interactions energy: -538.837
where: short stacking energy: -233.114
Base-Backbone interact. energy: 1.334
local terms energy: -227.092989
where:
bonds (distance) C4'-P energy: -38.468
bonds (distance) P-C4' energy: -42.627
flat angles C4'-P-C4' energy: -51.053
flat angles P-C4'-P energy: -28.666
tors. eta vs tors. theta energy: -66.279
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: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -755.747103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.747103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.747103 (E_RNA)
where:
Base-Base interactions energy: -525.138
where: short stacking energy: -213.674
Base-Backbone interact. energy: -0.125
local terms energy: -230.484558
where:
bonds (distance) C4'-P energy: -45.519
bonds (distance) P-C4' energy: -34.492
flat angles C4'-P-C4' energy: -48.326
flat angles P-C4'-P energy: -35.838
tors. eta vs tors. theta energy: -66.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -725.129611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.129611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.129611 (E_RNA)
where:
Base-Base interactions energy: -507.379
where: short stacking energy: -214.903
Base-Backbone interact. energy: -1.172
local terms energy: -216.578719
where:
bonds (distance) C4'-P energy: -40.687
bonds (distance) P-C4' energy: -41.688
flat angles C4'-P-C4' energy: -41.719
flat angles P-C4'-P energy: -33.214
tors. eta vs tors. theta energy: -59.270
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: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -527.944402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.944402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.944402 (E_RNA)
where:
Base-Base interactions energy: -334.369
where: short stacking energy: -146.500
Base-Backbone interact. energy: 2.011
local terms energy: -195.586075
where:
bonds (distance) C4'-P energy: -42.633
bonds (distance) P-C4' energy: -44.981
flat angles C4'-P-C4' energy: -54.356
flat angles P-C4'-P energy: -26.357
tors. eta vs tors. theta energy: -27.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -300.683763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.683763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.683763 (E_RNA)
where:
Base-Base interactions energy: -145.379
where: short stacking energy: -89.751
Base-Backbone interact. energy: -1.548
local terms energy: -153.756784
where:
bonds (distance) C4'-P energy: -39.118
bonds (distance) P-C4' energy: -53.450
flat angles C4'-P-C4' energy: -38.846
flat angles P-C4'-P energy: -20.265
tors. eta vs tors. theta energy: -2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -232.605756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.605756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.605756 (E_RNA)
where:
Base-Base interactions energy: -92.857
where: short stacking energy: -80.977
Base-Backbone interact. energy: -1.610
local terms energy: -138.138244
where:
bonds (distance) C4'-P energy: -31.770
bonds (distance) P-C4' energy: -42.696
flat angles C4'-P-C4' energy: -38.558
flat angles P-C4'-P energy: -26.846
tors. eta vs tors. theta energy: 1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -946.340118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.340118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.340118 (E_RNA)
where:
Base-Base interactions energy: -648.451
where: short stacking energy: -270.607
Base-Backbone interact. energy: -1.415
local terms energy: -296.473912
where:
bonds (distance) C4'-P energy: -48.723
bonds (distance) P-C4' energy: -55.190
flat angles C4'-P-C4' energy: -57.507
flat angles P-C4'-P energy: -50.179
tors. eta vs tors. theta energy: -84.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -912.622118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.622118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.622118 (E_RNA)
where:
Base-Base interactions energy: -654.656
where: short stacking energy: -260.474
Base-Backbone interact. energy: 0.038
local terms energy: -258.004685
where:
bonds (distance) C4'-P energy: -44.375
bonds (distance) P-C4' energy: -52.831
flat angles C4'-P-C4' energy: -56.301
flat angles P-C4'-P energy: -29.858
tors. eta vs tors. theta energy: -74.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -859.898585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.898585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.898585 (E_RNA)
where:
Base-Base interactions energy: -593.856
where: short stacking energy: -234.161
Base-Backbone interact. energy: -0.832
local terms energy: -265.210794
where:
bonds (distance) C4'-P energy: -51.267
bonds (distance) P-C4' energy: -57.677
flat angles C4'-P-C4' energy: -47.288
flat angles P-C4'-P energy: -39.156
tors. eta vs tors. theta energy: -69.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -791.192071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.192071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.192071 (E_RNA)
where:
Base-Base interactions energy: -526.224
where: short stacking energy: -225.436
Base-Backbone interact. energy: -1.030
local terms energy: -263.937823
where:
bonds (distance) C4'-P energy: -42.351
bonds (distance) P-C4' energy: -53.466
flat angles C4'-P-C4' energy: -54.285
flat angles P-C4'-P energy: -41.432
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: 5, replica: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -837.825873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.825873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.825873 (E_RNA)
where:
Base-Base interactions energy: -585.718
where: short stacking energy: -234.077
Base-Backbone interact. energy: 0.913
local terms energy: -253.021274
where:
bonds (distance) C4'-P energy: -55.115
bonds (distance) P-C4' energy: -55.419
flat angles C4'-P-C4' energy: -45.131
flat angles P-C4'-P energy: -30.522
tors. eta vs tors. theta energy: -66.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -773.821300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.821300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.821300 (E_RNA)
where:
Base-Base interactions energy: -519.261
where: short stacking energy: -242.717
Base-Backbone interact. energy: -2.470
local terms energy: -252.090088
where:
bonds (distance) C4'-P energy: -46.451
bonds (distance) P-C4' energy: -55.752
flat angles C4'-P-C4' energy: -52.212
flat angles P-C4'-P energy: -26.126
tors. eta vs tors. theta energy: -71.549
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: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -713.690975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.690975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.690975 (E_RNA)
where:
Base-Base interactions energy: -491.511
where: short stacking energy: -209.535
Base-Backbone interact. energy: 0.123
local terms energy: -222.303507
where:
bonds (distance) C4'-P energy: -38.235
bonds (distance) P-C4' energy: -46.349
flat angles C4'-P-C4' energy: -46.882
flat angles P-C4'-P energy: -36.204
tors. eta vs tors. theta energy: -54.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -553.690248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.690248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.690248 (E_RNA)
where:
Base-Base interactions energy: -351.930
where: short stacking energy: -145.732
Base-Backbone interact. energy: -0.791
local terms energy: -200.968962
where:
bonds (distance) C4'-P energy: -38.803
bonds (distance) P-C4' energy: -58.338
flat angles C4'-P-C4' energy: -45.953
flat angles P-C4'-P energy: -28.893
tors. eta vs tors. theta energy: -28.982
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: 167
Temperature: 1.300000
Total energy: -257.129511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.129511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.129511 (E_RNA)
where:
Base-Base interactions energy: -100.911
where: short stacking energy: -88.460
Base-Backbone interact. energy: 2.811
local terms energy: -159.029478
where:
bonds (distance) C4'-P energy: -42.464
bonds (distance) P-C4' energy: -47.369
flat angles C4'-P-C4' energy: -37.365
flat angles P-C4'-P energy: -26.730
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -259.139345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.139345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.139345 (E_RNA)
where:
Base-Base interactions energy: -111.120
where: short stacking energy: -75.474
Base-Backbone interact. energy: -1.487
local terms energy: -146.531709
where:
bonds (distance) C4'-P energy: -34.035
bonds (distance) P-C4' energy: -47.016
flat angles C4'-P-C4' energy: -38.095
flat angles P-C4'-P energy: -25.235
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -920.662774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.662774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.662774 (E_RNA)
where:
Base-Base interactions energy: -649.058
where: short stacking energy: -253.983
Base-Backbone interact. energy: -1.556
local terms energy: -270.049321
where:
bonds (distance) C4'-P energy: -50.521
bonds (distance) P-C4' energy: -56.138
flat angles C4'-P-C4' energy: -58.950
flat angles P-C4'-P energy: -33.449
tors. eta vs tors. theta energy: -70.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -912.777659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.777659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.777659 (E_RNA)
where:
Base-Base interactions energy: -630.697
where: short stacking energy: -275.536
Base-Backbone interact. energy: -1.926
local terms energy: -280.153845
where:
bonds (distance) C4'-P energy: -47.447
bonds (distance) P-C4' energy: -47.467
flat angles C4'-P-C4' energy: -55.897
flat angles P-C4'-P energy: -47.796
tors. eta vs tors. theta energy: -81.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -852.723410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.723410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.723410 (E_RNA)
where:
Base-Base interactions energy: -588.530
where: short stacking energy: -239.407
Base-Backbone interact. energy: -2.922
local terms energy: -261.271153
where:
bonds (distance) C4'-P energy: -53.477
bonds (distance) P-C4' energy: -42.200
flat angles C4'-P-C4' energy: -58.898
flat angles P-C4'-P energy: -39.490
tors. eta vs tors. theta energy: -67.206
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: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -778.542791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.542791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.542791 (E_RNA)
where:
Base-Base interactions energy: -535.897
where: short stacking energy: -224.277
Base-Backbone interact. energy: -1.226
local terms energy: -241.419061
where:
bonds (distance) C4'-P energy: -35.359
bonds (distance) P-C4' energy: -53.912
flat angles C4'-P-C4' energy: -57.559
flat angles P-C4'-P energy: -28.043
tors. eta vs tors. theta energy: -66.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -854.183749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.183749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.183749 (E_RNA)
where:
Base-Base interactions energy: -589.594
where: short stacking energy: -226.727
Base-Backbone interact. energy: 0.028
local terms energy: -264.617707
where:
bonds (distance) C4'-P energy: -55.430
bonds (distance) P-C4' energy: -39.758
flat angles C4'-P-C4' energy: -55.677
flat angles P-C4'-P energy: -46.328
tors. eta vs tors. theta energy: -67.424
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: 7
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -747.228230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.228230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.228230 (E_RNA)
where:
Base-Base interactions energy: -489.554
where: short stacking energy: -212.814
Base-Backbone interact. energy: -1.402
local terms energy: -256.272445
where:
bonds (distance) C4'-P energy: -52.905
bonds (distance) P-C4' energy: -49.394
flat angles C4'-P-C4' energy: -53.481
flat angles P-C4'-P energy: -38.125
tors. eta vs tors. theta energy: -62.368
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: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -736.234089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.234089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.234089 (E_RNA)
where:
Base-Base interactions energy: -503.462
where: short stacking energy: -219.220
Base-Backbone interact. energy: -1.219
local terms energy: -231.553405
where:
bonds (distance) C4'-P energy: -44.066
bonds (distance) P-C4' energy: -53.004
flat angles C4'-P-C4' energy: -48.980
flat angles P-C4'-P energy: -26.123
tors. eta vs tors. theta energy: -59.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -582.703983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.703983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.703983 (E_RNA)
where:
Base-Base interactions energy: -361.312
where: short stacking energy: -147.168
Base-Backbone interact. energy: -0.968
local terms energy: -220.423851
where:
bonds (distance) C4'-P energy: -43.927
bonds (distance) P-C4' energy: -53.752
flat angles C4'-P-C4' energy: -49.824
flat angles P-C4'-P energy: -38.711
tors. eta vs tors. theta energy: -34.209
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: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -274.521408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.521408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.521408 (E_RNA)
where:
Base-Base interactions energy: -120.526
where: short stacking energy: -103.177
Base-Backbone interact. energy: 3.586
local terms energy: -157.581933
where:
bonds (distance) C4'-P energy: -41.379
bonds (distance) P-C4' energy: -54.462
flat angles C4'-P-C4' energy: -35.478
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -10.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -250.169059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.169059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.169059 (E_RNA)
where:
Base-Base interactions energy: -110.904
where: short stacking energy: -70.270
Base-Backbone interact. energy: 0.529
local terms energy: -139.794066
where:
bonds (distance) C4'-P energy: -33.711
bonds (distance) P-C4' energy: -50.547
flat angles C4'-P-C4' energy: -34.320
flat angles P-C4'-P energy: -23.218
tors. eta vs tors. theta energy: 2.001
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: 169
Temperature: 0.900000
Total energy: -911.079781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.079781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.079781 (E_RNA)
where:
Base-Base interactions energy: -635.099
where: short stacking energy: -257.532
Base-Backbone interact. energy: -0.515
local terms energy: -275.465679
where:
bonds (distance) C4'-P energy: -51.125
bonds (distance) P-C4' energy: -53.205
flat angles C4'-P-C4' energy: -57.281
flat angles P-C4'-P energy: -38.506
tors. eta vs tors. theta energy: -75.349
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: 5
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -909.218137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.218137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.218137 (E_RNA)
where:
Base-Base interactions energy: -620.214
where: short stacking energy: -252.372
Base-Backbone interact. energy: -3.247
local terms energy: -285.757131
where:
bonds (distance) C4'-P energy: -48.654
bonds (distance) P-C4' energy: -55.028
flat angles C4'-P-C4' energy: -54.284
flat angles P-C4'-P energy: -44.767
tors. eta vs tors. theta energy: -83.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -858.390127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.390127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.390127 (E_RNA)
where:
Base-Base interactions energy: -590.373
where: short stacking energy: -235.050
Base-Backbone interact. energy: -0.313
local terms energy: -267.703591
where:
bonds (distance) C4'-P energy: -49.900
bonds (distance) P-C4' energy: -56.830
flat angles C4'-P-C4' energy: -56.717
flat angles P-C4'-P energy: -36.134
tors. eta vs tors. theta energy: -68.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -879.065180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.065180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.065180 (E_RNA)
where:
Base-Base interactions energy: -625.600
where: short stacking energy: -243.179
Base-Backbone interact. energy: 2.917
local terms energy: -256.381532
where:
bonds (distance) C4'-P energy: -51.288
bonds (distance) P-C4' energy: -46.899
flat angles C4'-P-C4' energy: -53.425
flat angles P-C4'-P energy: -33.365
tors. eta vs tors. theta energy: -71.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -757.829725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.829725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.829725 (E_RNA)
where:
Base-Base interactions energy: -519.822
where: short stacking energy: -233.273
Base-Backbone interact. energy: -1.074
local terms energy: -236.933338
where:
bonds (distance) C4'-P energy: -47.630
bonds (distance) P-C4' energy: -40.660
flat angles C4'-P-C4' energy: -57.324
flat angles P-C4'-P energy: -29.863
tors. eta vs tors. theta energy: -61.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -755.313587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.313587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.313587 (E_RNA)
where:
Base-Base interactions energy: -514.232
where: short stacking energy: -229.154
Base-Backbone interact. energy: -1.795
local terms energy: -239.286416
where:
bonds (distance) C4'-P energy: -49.126
bonds (distance) P-C4' energy: -49.520
flat angles C4'-P-C4' energy: -53.826
flat angles P-C4'-P energy: -30.526
tors. eta vs tors. theta energy: -56.288
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: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -725.425091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.425091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.425091 (E_RNA)
where:
Base-Base interactions energy: -481.073
where: short stacking energy: -211.003
Base-Backbone interact. energy: -0.086
local terms energy: -244.265858
where:
bonds (distance) C4'-P energy: -49.517
bonds (distance) P-C4' energy: -42.815
flat angles C4'-P-C4' energy: -56.087
flat angles P-C4'-P energy: -33.702
tors. eta vs tors. theta energy: -62.144
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: 4
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -550.574551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.574551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.574551 (E_RNA)
where:
Base-Base interactions energy: -345.463
where: short stacking energy: -147.312
Base-Backbone interact. energy: -0.777
local terms energy: -204.334837
where:
bonds (distance) C4'-P energy: -48.261
bonds (distance) P-C4' energy: -53.963
flat angles C4'-P-C4' energy: -40.329
flat angles P-C4'-P energy: -36.279
tors. eta vs tors. theta energy: -25.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -248.789980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.789980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.789980 (E_RNA)
where:
Base-Base interactions energy: -87.288
where: short stacking energy: -70.552
Base-Backbone interact. energy: -0.500
local terms energy: -161.002106
where:
bonds (distance) C4'-P energy: -47.235
bonds (distance) P-C4' energy: -47.572
flat angles C4'-P-C4' energy: -41.360
flat angles P-C4'-P energy: -33.488
tors. eta vs tors. theta energy: 8.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -224.496841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.496841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.496841 (E_RNA)
where:
Base-Base interactions energy: -66.261
where: short stacking energy: -59.804
Base-Backbone interact. energy: 2.304
local terms energy: -160.539643
where:
bonds (distance) C4'-P energy: -41.295
bonds (distance) P-C4' energy: -46.285
flat angles C4'-P-C4' energy: -46.977
flat angles P-C4'-P energy: -28.707
tors. eta vs tors. theta energy: 2.725
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: 170
Temperature: 0.900000
Total energy: -934.199499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.199499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.199499 (E_RNA)
where:
Base-Base interactions energy: -647.348
where: short stacking energy: -252.722
Base-Backbone interact. energy: -2.534
local terms energy: -284.317114
where:
bonds (distance) C4'-P energy: -61.302
bonds (distance) P-C4' energy: -58.284
flat angles C4'-P-C4' energy: -58.999
flat angles P-C4'-P energy: -37.905
tors. eta vs tors. theta energy: -67.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -915.462901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.462901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.462901 (E_RNA)
where:
Base-Base interactions energy: -645.916
where: short stacking energy: -262.719
Base-Backbone interact. energy: -0.894
local terms energy: -268.652352
where:
bonds (distance) C4'-P energy: -41.252
bonds (distance) P-C4' energy: -54.214
flat angles C4'-P-C4' energy: -57.095
flat angles P-C4'-P energy: -34.634
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: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -904.896235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.896235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.896235 (E_RNA)
where:
Base-Base interactions energy: -614.092
where: short stacking energy: -248.061
Base-Backbone interact. energy: -1.829
local terms energy: -288.975104
where:
bonds (distance) C4'-P energy: -53.267
bonds (distance) P-C4' energy: -57.840
flat angles C4'-P-C4' energy: -57.591
flat angles P-C4'-P energy: -43.812
tors. eta vs tors. theta energy: -76.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -864.080775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.080775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.080775 (E_RNA)
where:
Base-Base interactions energy: -612.234
where: short stacking energy: -243.550
Base-Backbone interact. energy: -2.340
local terms energy: -249.507504
where:
bonds (distance) C4'-P energy: -37.515
bonds (distance) P-C4' energy: -53.038
flat angles C4'-P-C4' energy: -49.862
flat angles P-C4'-P energy: -41.667
tors. eta vs tors. theta energy: -67.426
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: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -760.021570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.021570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.021570 (E_RNA)
where:
Base-Base interactions energy: -509.373
where: short stacking energy: -216.946
Base-Backbone interact. energy: 0.592
local terms energy: -251.240808
where:
bonds (distance) C4'-P energy: -54.857
bonds (distance) P-C4' energy: -48.503
flat angles C4'-P-C4' energy: -50.555
flat angles P-C4'-P energy: -29.767
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: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -724.013811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.013811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.013811 (E_RNA)
where:
Base-Base interactions energy: -484.414
where: short stacking energy: -209.153
Base-Backbone interact. energy: -1.228
local terms energy: -238.371251
where:
bonds (distance) C4'-P energy: -42.731
bonds (distance) P-C4' energy: -43.613
flat angles C4'-P-C4' energy: -58.915
flat angles P-C4'-P energy: -38.371
tors. eta vs tors. theta energy: -54.742
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: 170
Temperature: 1.200000
Total energy: -717.137923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.137923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.137923 (E_RNA)
where:
Base-Base interactions energy: -484.926
where: short stacking energy: -204.032
Base-Backbone interact. energy: -1.609
local terms energy: -230.602880
where:
bonds (distance) C4'-P energy: -42.876
bonds (distance) P-C4' energy: -41.302
flat angles C4'-P-C4' energy: -47.802
flat angles P-C4'-P energy: -38.258
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: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -554.516474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.516474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.516474 (E_RNA)
where:
Base-Base interactions energy: -341.357
where: short stacking energy: -159.011
Base-Backbone interact. energy: -1.406
local terms energy: -211.753105
where:
bonds (distance) C4'-P energy: -48.666
bonds (distance) P-C4' energy: -42.596
flat angles C4'-P-C4' energy: -49.483
flat angles P-C4'-P energy: -36.048
tors. eta vs tors. theta energy: -34.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -248.743939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.743939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.743939 (E_RNA)
where:
Base-Base interactions energy: -96.073
where: short stacking energy: -94.513
Base-Backbone interact. energy: -0.989
local terms energy: -151.681812
where:
bonds (distance) C4'-P energy: -36.984
bonds (distance) P-C4' energy: -51.217
flat angles C4'-P-C4' energy: -41.642
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -244.042113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.042113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.042113 (E_RNA)
where:
Base-Base interactions energy: -86.382
where: short stacking energy: -70.445
Base-Backbone interact. energy: -2.135
local terms energy: -155.524839
where:
bonds (distance) C4'-P energy: -51.583
bonds (distance) P-C4' energy: -47.317
flat angles C4'-P-C4' energy: -45.558
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -917.833449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.833449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.833449 (E_RNA)
where:
Base-Base interactions energy: -657.642
where: short stacking energy: -242.981
Base-Backbone interact. energy: 0.727
local terms energy: -260.918279
where:
bonds (distance) C4'-P energy: -48.294
bonds (distance) P-C4' energy: -48.834
flat angles C4'-P-C4' energy: -50.915
flat angles P-C4'-P energy: -40.277
tors. eta vs tors. theta energy: -72.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -918.649575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.649575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.649575 (E_RNA)
where:
Base-Base interactions energy: -656.847
where: short stacking energy: -259.590
Base-Backbone interact. energy: -2.726
local terms energy: -259.076906
where:
bonds (distance) C4'-P energy: -37.030
bonds (distance) P-C4' energy: -41.311
flat angles C4'-P-C4' energy: -62.504
flat angles P-C4'-P energy: -39.916
tors. eta vs tors. theta energy: -78.316
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: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -880.966026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.966026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.966026 (E_RNA)
where:
Base-Base interactions energy: -608.062
where: short stacking energy: -245.989
Base-Backbone interact. energy: -1.608
local terms energy: -271.295470
where:
bonds (distance) C4'-P energy: -48.292
bonds (distance) P-C4' energy: -50.638
flat angles C4'-P-C4' energy: -55.648
flat angles P-C4'-P energy: -44.243
tors. eta vs tors. theta energy: -72.474
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: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -862.330925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.330925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.330925 (E_RNA)
where:
Base-Base interactions energy: -608.972
where: short stacking energy: -243.922
Base-Backbone interact. energy: -2.616
local terms energy: -250.742362
where:
bonds (distance) C4'-P energy: -45.494
bonds (distance) P-C4' energy: -48.189
flat angles C4'-P-C4' energy: -51.956
flat angles P-C4'-P energy: -40.270
tors. eta vs tors. theta energy: -64.833
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: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -756.989621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.989621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.989621 (E_RNA)
where:
Base-Base interactions energy: -501.477
where: short stacking energy: -207.849
Base-Backbone interact. energy: -2.784
local terms energy: -252.728713
where:
bonds (distance) C4'-P energy: -46.687
bonds (distance) P-C4' energy: -56.832
flat angles C4'-P-C4' energy: -52.983
flat angles P-C4'-P energy: -35.202
tors. eta vs tors. theta energy: -61.025
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: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -762.625784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.625784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.625784 (E_RNA)
where:
Base-Base interactions energy: -508.529
where: short stacking energy: -221.061
Base-Backbone interact. energy: -1.625
local terms energy: -252.472094
where:
bonds (distance) C4'-P energy: -43.144
bonds (distance) P-C4' energy: -47.831
flat angles C4'-P-C4' energy: -55.092
flat angles P-C4'-P energy: -36.534
tors. eta vs tors. theta energy: -69.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -709.102609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.102609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.102609 (E_RNA)
where:
Base-Base interactions energy: -481.160
where: short stacking energy: -191.684
Base-Backbone interact. energy: -2.119
local terms energy: -225.823172
where:
bonds (distance) C4'-P energy: -49.595
bonds (distance) P-C4' energy: -55.860
flat angles C4'-P-C4' energy: -44.133
flat angles P-C4'-P energy: -29.987
tors. eta vs tors. theta energy: -46.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -566.871828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.871828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.871828 (E_RNA)
where:
Base-Base interactions energy: -352.108
where: short stacking energy: -156.749
Base-Backbone interact. energy: -0.892
local terms energy: -213.871052
where:
bonds (distance) C4'-P energy: -55.089
bonds (distance) P-C4' energy: -45.301
flat angles C4'-P-C4' energy: -41.915
flat angles P-C4'-P energy: -27.085
tors. eta vs tors. theta energy: -44.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -282.193720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.193720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.193720 (E_RNA)
where:
Base-Base interactions energy: -111.509
where: short stacking energy: -98.563
Base-Backbone interact. energy: -0.928
local terms energy: -169.756005
where:
bonds (distance) C4'-P energy: -46.618
bonds (distance) P-C4' energy: -45.089
flat angles C4'-P-C4' energy: -50.772
flat angles P-C4'-P energy: -24.153
tors. eta vs tors. theta energy: -3.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -234.420446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.420446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.420446 (E_RNA)
where:
Base-Base interactions energy: -98.674
where: short stacking energy: -69.666
Base-Backbone interact. energy: -0.597
local terms energy: -135.148739
where:
bonds (distance) C4'-P energy: -37.645
bonds (distance) P-C4' energy: -36.603
flat angles C4'-P-C4' energy: -36.578
flat angles P-C4'-P energy: -30.202
tors. eta vs tors. theta energy: 5.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -927.784555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.784555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.784555 (E_RNA)
where:
Base-Base interactions energy: -655.726
where: short stacking energy: -267.936
Base-Backbone interact. energy: 2.181
local terms energy: -274.239111
where:
bonds (distance) C4'-P energy: -43.566
bonds (distance) P-C4' energy: -55.321
flat angles C4'-P-C4' energy: -63.265
flat angles P-C4'-P energy: -41.068
tors. eta vs tors. theta energy: -71.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -918.373625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.373625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.373625 (E_RNA)
where:
Base-Base interactions energy: -628.807
where: short stacking energy: -266.145
Base-Backbone interact. energy: -2.251
local terms energy: -287.315833
where:
bonds (distance) C4'-P energy: -49.115
bonds (distance) P-C4' energy: -59.255
flat angles C4'-P-C4' energy: -58.563
flat angles P-C4'-P energy: -45.677
tors. eta vs tors. theta energy: -74.705
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: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -885.483612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.483612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.483612 (E_RNA)
where:
Base-Base interactions energy: -620.337
where: short stacking energy: -242.005
Base-Backbone interact. energy: -2.009
local terms energy: -263.137722
where:
bonds (distance) C4'-P energy: -49.010
bonds (distance) P-C4' energy: -53.656
flat angles C4'-P-C4' energy: -58.855
flat angles P-C4'-P energy: -29.480
tors. eta vs tors. theta energy: -72.138
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: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -849.420677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.420677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.420677 (E_RNA)
where:
Base-Base interactions energy: -586.080
where: short stacking energy: -234.029
Base-Backbone interact. energy: -1.825
local terms energy: -261.516290
where:
bonds (distance) C4'-P energy: -48.426
bonds (distance) P-C4' energy: -44.625
flat angles C4'-P-C4' energy: -60.216
flat angles P-C4'-P energy: -41.121
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: 172
Temperature: 1.100000
Total energy: -758.141850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.141850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.141850 (E_RNA)
where:
Base-Base interactions energy: -503.615
where: short stacking energy: -232.662
Base-Backbone interact. energy: 1.253
local terms energy: -255.779775
where:
bonds (distance) C4'-P energy: -48.461
bonds (distance) P-C4' energy: -47.421
flat angles C4'-P-C4' energy: -53.081
flat angles P-C4'-P energy: -39.694
tors. eta vs tors. theta energy: -67.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -740.735007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.735007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.735007 (E_RNA)
where:
Base-Base interactions energy: -484.177
where: short stacking energy: -211.724
Base-Backbone interact. energy: -1.457
local terms energy: -255.101564
where:
bonds (distance) C4'-P energy: -57.296
bonds (distance) P-C4' energy: -47.631
flat angles C4'-P-C4' energy: -49.157
flat angles P-C4'-P energy: -37.066
tors. eta vs tors. theta energy: -63.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -740.226280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.226280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.226280 (E_RNA)
where:
Base-Base interactions energy: -508.670
where: short stacking energy: -220.056
Base-Backbone interact. energy: -0.214
local terms energy: -231.342753
where:
bonds (distance) C4'-P energy: -44.134
bonds (distance) P-C4' energy: -44.434
flat angles C4'-P-C4' energy: -50.696
flat angles P-C4'-P energy: -33.322
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: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -563.655660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.655660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.655660 (E_RNA)
where:
Base-Base interactions energy: -362.879
where: short stacking energy: -161.048
Base-Backbone interact. energy: -0.744
local terms energy: -200.033055
where:
bonds (distance) C4'-P energy: -52.313
bonds (distance) P-C4' energy: -28.013
flat angles C4'-P-C4' energy: -38.371
flat angles P-C4'-P energy: -38.810
tors. eta vs tors. theta energy: -42.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -257.060474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.060474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.060474 (E_RNA)
where:
Base-Base interactions energy: -84.501
where: short stacking energy: -80.103
Base-Backbone interact. energy: -0.586
local terms energy: -171.974100
where:
bonds (distance) C4'-P energy: -50.651
bonds (distance) P-C4' energy: -48.493
flat angles C4'-P-C4' energy: -43.739
flat angles P-C4'-P energy: -20.075
tors. eta vs tors. theta energy: -9.015
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: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -230.974429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.974429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.974429 (E_RNA)
where:
Base-Base interactions energy: -86.971
where: short stacking energy: -66.510
Base-Backbone interact. energy: 0.807
local terms energy: -144.810525
where:
bonds (distance) C4'-P energy: -47.004
bonds (distance) P-C4' energy: -41.621
flat angles C4'-P-C4' energy: -31.803
flat angles P-C4'-P energy: -27.938
tors. eta vs tors. theta energy: 3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -914.524827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.524827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.524827 (E_RNA)
where:
Base-Base interactions energy: -637.574
where: short stacking energy: -246.586
Base-Backbone interact. energy: -0.123
local terms energy: -276.827311
where:
bonds (distance) C4'-P energy: -47.442
bonds (distance) P-C4' energy: -54.703
flat angles C4'-P-C4' energy: -56.117
flat angles P-C4'-P energy: -44.293
tors. eta vs tors. theta energy: -74.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -919.304497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.304497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.304497 (E_RNA)
where:
Base-Base interactions energy: -636.836
where: short stacking energy: -264.810
Base-Backbone interact. energy: -1.365
local terms energy: -281.103814
where:
bonds (distance) C4'-P energy: -54.949
bonds (distance) P-C4' energy: -53.760
flat angles C4'-P-C4' energy: -54.033
flat angles P-C4'-P energy: -43.679
tors. eta vs tors. theta energy: -74.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -871.171746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.171746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.171746 (E_RNA)
where:
Base-Base interactions energy: -618.644
where: short stacking energy: -233.534
Base-Backbone interact. energy: -2.939
local terms energy: -249.588334
where:
bonds (distance) C4'-P energy: -40.151
bonds (distance) P-C4' energy: -48.707
flat angles C4'-P-C4' energy: -50.502
flat angles P-C4'-P energy: -41.225
tors. eta vs tors. theta energy: -69.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -876.166621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.166621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.166621 (E_RNA)
where:
Base-Base interactions energy: -608.474
where: short stacking energy: -253.817
Base-Backbone interact. energy: -0.568
local terms energy: -267.123771
where:
bonds (distance) C4'-P energy: -50.427
bonds (distance) P-C4' energy: -49.879
flat angles C4'-P-C4' energy: -58.615
flat angles P-C4'-P energy: -29.286
tors. eta vs tors. theta energy: -78.918
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: 5, replica: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -731.644473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.644473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.644473 (E_RNA)
where:
Base-Base interactions energy: -481.604
where: short stacking energy: -209.658
Base-Backbone interact. energy: -0.972
local terms energy: -249.068165
where:
bonds (distance) C4'-P energy: -51.650
bonds (distance) P-C4' energy: -49.114
flat angles C4'-P-C4' energy: -48.853
flat angles P-C4'-P energy: -35.369
tors. eta vs tors. theta energy: -64.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -750.670424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.670424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.670424 (E_RNA)
where:
Base-Base interactions energy: -507.776
where: short stacking energy: -234.772
Base-Backbone interact. energy: 0.673
local terms energy: -243.567855
where:
bonds (distance) C4'-P energy: -49.356
bonds (distance) P-C4' energy: -50.844
flat angles C4'-P-C4' energy: -50.165
flat angles P-C4'-P energy: -29.840
tors. eta vs tors. theta energy: -63.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -697.620031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.620031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.620031 (E_RNA)
where:
Base-Base interactions energy: -472.579
where: short stacking energy: -174.812
Base-Backbone interact. energy: 0.691
local terms energy: -225.732022
where:
bonds (distance) C4'-P energy: -48.503
bonds (distance) P-C4' energy: -47.498
flat angles C4'-P-C4' energy: -53.875
flat angles P-C4'-P energy: -31.760
tors. eta vs tors. theta energy: -44.096
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: 4
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -513.053679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.053679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.053679 (E_RNA)
where:
Base-Base interactions energy: -319.988
where: short stacking energy: -147.475
Base-Backbone interact. energy: 8.621
local terms energy: -201.686026
where:
bonds (distance) C4'-P energy: -49.917
bonds (distance) P-C4' energy: -53.930
flat angles C4'-P-C4' energy: -44.292
flat angles P-C4'-P energy: -29.419
tors. eta vs tors. theta energy: -24.128
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: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -247.331406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.331406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.331406 (E_RNA)
where:
Base-Base interactions energy: -96.726
where: short stacking energy: -57.323
Base-Backbone interact. energy: 5.846
local terms energy: -156.450615
where:
bonds (distance) C4'-P energy: -50.956
bonds (distance) P-C4' energy: -52.282
flat angles C4'-P-C4' energy: -41.379
flat angles P-C4'-P energy: -25.350
tors. eta vs tors. theta energy: 13.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -231.624096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.624096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.624096 (E_RNA)
where:
Base-Base interactions energy: -82.381
where: short stacking energy: -68.401
Base-Backbone interact. energy: 5.171
local terms energy: -154.414109
where:
bonds (distance) C4'-P energy: -37.165
bonds (distance) P-C4' energy: -48.677
flat angles C4'-P-C4' energy: -42.014
flat angles P-C4'-P energy: -26.348
tors. eta vs tors. theta energy: -0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -954.487794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.487794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.487794 (E_RNA)
where:
Base-Base interactions energy: -658.571
where: short stacking energy: -275.360
Base-Backbone interact. energy: 0.481
local terms energy: -296.398102
where:
bonds (distance) C4'-P energy: -55.238
bonds (distance) P-C4' energy: -57.740
flat angles C4'-P-C4' energy: -57.048
flat angles P-C4'-P energy: -42.924
tors. eta vs tors. theta energy: -83.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -910.476515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.476515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.476515 (E_RNA)
where:
Base-Base interactions energy: -635.583
where: short stacking energy: -232.568
Base-Backbone interact. energy: -1.174
local terms energy: -273.719485
where:
bonds (distance) C4'-P energy: -51.703
bonds (distance) P-C4' energy: -56.495
flat angles C4'-P-C4' energy: -62.652
flat angles P-C4'-P energy: -33.268
tors. eta vs tors. theta energy: -69.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -858.296927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.296927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.296927 (E_RNA)
where:
Base-Base interactions energy: -596.879
where: short stacking energy: -242.834
Base-Backbone interact. energy: -0.496
local terms energy: -260.921617
where:
bonds (distance) C4'-P energy: -48.008
bonds (distance) P-C4' energy: -56.660
flat angles C4'-P-C4' energy: -47.633
flat angles P-C4'-P energy: -35.671
tors. eta vs tors. theta energy: -72.951
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: 4, replica: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -881.739170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.739170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.739170 (E_RNA)
where:
Base-Base interactions energy: -618.128
where: short stacking energy: -247.881
Base-Backbone interact. energy: -1.423
local terms energy: -262.189054
where:
bonds (distance) C4'-P energy: -50.334
bonds (distance) P-C4' energy: -40.607
flat angles C4'-P-C4' energy: -52.028
flat angles P-C4'-P energy: -42.632
tors. eta vs tors. theta energy: -76.588
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: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -771.750894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.750894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.750894 (E_RNA)
where:
Base-Base interactions energy: -516.693
where: short stacking energy: -225.651
Base-Backbone interact. energy: -0.495
local terms energy: -254.563225
where:
bonds (distance) C4'-P energy: -52.397
bonds (distance) P-C4' energy: -46.812
flat angles C4'-P-C4' energy: -51.891
flat angles P-C4'-P energy: -39.099
tors. eta vs tors. theta energy: -64.364
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: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -740.973758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.973758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.973758 (E_RNA)
where:
Base-Base interactions energy: -492.969
where: short stacking energy: -210.692
Base-Backbone interact. energy: -0.188
local terms energy: -247.817386
where:
bonds (distance) C4'-P energy: -48.320
bonds (distance) P-C4' energy: -48.531
flat angles C4'-P-C4' energy: -49.338
flat angles P-C4'-P energy: -38.537
tors. eta vs tors. theta energy: -63.090
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: 7, replica: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -685.897275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.897275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.897275 (E_RNA)
where:
Base-Base interactions energy: -462.743
where: short stacking energy: -185.219
Base-Backbone interact. energy: 0.692
local terms energy: -223.846194
where:
bonds (distance) C4'-P energy: -45.087
bonds (distance) P-C4' energy: -49.110
flat angles C4'-P-C4' energy: -46.275
flat angles P-C4'-P energy: -27.519
tors. eta vs tors. theta energy: -55.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -509.526977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.526977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.526977 (E_RNA)
where:
Base-Base interactions energy: -291.689
where: short stacking energy: -150.150
Base-Backbone interact. energy: -1.501
local terms energy: -216.336975
where:
bonds (distance) C4'-P energy: -39.476
bonds (distance) P-C4' energy: -48.992
flat angles C4'-P-C4' energy: -48.454
flat angles P-C4'-P energy: -41.014
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: 9, replica: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -233.124221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.124221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.124221 (E_RNA)
where:
Base-Base interactions energy: -71.603
where: short stacking energy: -66.323
Base-Backbone interact. energy: -0.506
local terms energy: -161.015342
where:
bonds (distance) C4'-P energy: -49.424
bonds (distance) P-C4' energy: -44.436
flat angles C4'-P-C4' energy: -46.124
flat angles P-C4'-P energy: -32.249
tors. eta vs tors. theta energy: 11.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -257.849122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.849122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.849122 (E_RNA)
where:
Base-Base interactions energy: -98.994
where: short stacking energy: -54.464
Base-Backbone interact. energy: -1.626
local terms energy: -157.228882
where:
bonds (distance) C4'-P energy: -43.468
bonds (distance) P-C4' energy: -55.495
flat angles C4'-P-C4' energy: -34.259
flat angles P-C4'-P energy: -28.324
tors. eta vs tors. theta energy: 4.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -951.307051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.307051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.307051 (E_RNA)
where:
Base-Base interactions energy: -658.054
where: short stacking energy: -275.489
Base-Backbone interact. energy: 0.381
local terms energy: -293.633624
where:
bonds (distance) C4'-P energy: -49.394
bonds (distance) P-C4' energy: -56.322
flat angles C4'-P-C4' energy: -56.821
flat angles P-C4'-P energy: -46.420
tors. eta vs tors. theta energy: -84.675
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: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -914.895532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.895532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.895532 (E_RNA)
where:
Base-Base interactions energy: -647.346
where: short stacking energy: -256.260
Base-Backbone interact. energy: -3.068
local terms energy: -264.481805
where:
bonds (distance) C4'-P energy: -46.166
bonds (distance) P-C4' energy: -48.057
flat angles C4'-P-C4' energy: -60.669
flat angles P-C4'-P energy: -37.631
tors. eta vs tors. theta energy: -71.959
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: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -887.092469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.092469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.092469 (E_RNA)
where:
Base-Base interactions energy: -628.047
where: short stacking energy: -252.019
Base-Backbone interact. energy: 1.596
local terms energy: -260.641632
where:
bonds (distance) C4'-P energy: -47.863
bonds (distance) P-C4' energy: -46.687
flat angles C4'-P-C4' energy: -58.470
flat angles P-C4'-P energy: -35.848
tors. eta vs tors. theta energy: -71.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -867.536387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.536387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.536387 (E_RNA)
where:
Base-Base interactions energy: -603.931
where: short stacking energy: -242.336
Base-Backbone interact. energy: 1.724
local terms energy: -265.329196
where:
bonds (distance) C4'-P energy: -40.018
bonds (distance) P-C4' energy: -47.333
flat angles C4'-P-C4' energy: -61.654
flat angles P-C4'-P energy: -40.852
tors. eta vs tors. theta energy: -75.471
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: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -765.981759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.981759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.981759 (E_RNA)
where:
Base-Base interactions energy: -504.304
where: short stacking energy: -225.768
Base-Backbone interact. energy: -1.326
local terms energy: -260.352398
where:
bonds (distance) C4'-P energy: -41.694
bonds (distance) P-C4' energy: -52.762
flat angles C4'-P-C4' energy: -57.791
flat angles P-C4'-P energy: -40.699
tors. eta vs tors. theta energy: -67.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -751.471510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.471510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.471510 (E_RNA)
where:
Base-Base interactions energy: -524.107
where: short stacking energy: -231.228
Base-Backbone interact. energy: 0.147
local terms energy: -227.511816
where:
bonds (distance) C4'-P energy: -40.315
bonds (distance) P-C4' energy: -41.138
flat angles C4'-P-C4' energy: -46.985
flat angles P-C4'-P energy: -33.844
tors. eta vs tors. theta energy: -65.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -694.974676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.974676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.974676 (E_RNA)
where:
Base-Base interactions energy: -474.497
where: short stacking energy: -194.070
Base-Backbone interact. energy: 0.820
local terms energy: -221.297988
where:
bonds (distance) C4'-P energy: -45.881
bonds (distance) P-C4' energy: -46.310
flat angles C4'-P-C4' energy: -44.655
flat angles P-C4'-P energy: -32.581
tors. eta vs tors. theta energy: -51.872
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: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -532.047536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.047536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.047536 (E_RNA)
where:
Base-Base interactions energy: -317.674
where: short stacking energy: -152.956
Base-Backbone interact. energy: -0.929
local terms energy: -213.444842
where:
bonds (distance) C4'-P energy: -41.943
bonds (distance) P-C4' energy: -51.331
flat angles C4'-P-C4' energy: -49.506
flat angles P-C4'-P energy: -37.007
tors. eta vs tors. theta energy: -33.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -234.158290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.158290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.158290 (E_RNA)
where:
Base-Base interactions energy: -69.997
where: short stacking energy: -60.068
Base-Backbone interact. energy: -1.357
local terms energy: -162.804844
where:
bonds (distance) C4'-P energy: -41.025
bonds (distance) P-C4' energy: -56.245
flat angles C4'-P-C4' energy: -42.853
flat angles P-C4'-P energy: -20.814
tors. eta vs tors. theta energy: -1.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -219.888220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.888220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.888220 (E_RNA)
where:
Base-Base interactions energy: -71.794
where: short stacking energy: -59.503
Base-Backbone interact. energy: 3.423
local terms energy: -151.516970
where:
bonds (distance) C4'-P energy: -50.871
bonds (distance) P-C4' energy: -37.268
flat angles C4'-P-C4' energy: -44.870
flat angles P-C4'-P energy: -20.428
tors. eta vs tors. theta energy: 1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -972.330691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.330691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.330691 (E_RNA)
where:
Base-Base interactions energy: -658.633
where: short stacking energy: -275.560
Base-Backbone interact. energy: 2.164
local terms energy: -315.861829
where:
bonds (distance) C4'-P energy: -55.771
bonds (distance) P-C4' energy: -59.921
flat angles C4'-P-C4' energy: -61.631
flat angles P-C4'-P energy: -48.225
tors. eta vs tors. theta energy: -90.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -886.332332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.332332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.332332 (E_RNA)
where:
Base-Base interactions energy: -618.751
where: short stacking energy: -249.759
Base-Backbone interact. energy: 0.377
local terms energy: -267.958419
where:
bonds (distance) C4'-P energy: -56.059
bonds (distance) P-C4' energy: -54.516
flat angles C4'-P-C4' energy: -57.058
flat angles P-C4'-P energy: -32.670
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: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -901.064548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.064548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.064548 (E_RNA)
where:
Base-Base interactions energy: -639.612
where: short stacking energy: -239.559
Base-Backbone interact. energy: -1.686
local terms energy: -259.766640
where:
bonds (distance) C4'-P energy: -41.270
bonds (distance) P-C4' energy: -52.146
flat angles C4'-P-C4' energy: -53.733
flat angles P-C4'-P energy: -40.912
tors. eta vs tors. theta energy: -71.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -888.985523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.985523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.985523 (E_RNA)
where:
Base-Base interactions energy: -620.951
where: short stacking energy: -258.347
Base-Backbone interact. energy: -1.027
local terms energy: -267.007690
where:
bonds (distance) C4'-P energy: -48.776
bonds (distance) P-C4' energy: -48.039
flat angles C4'-P-C4' energy: -58.140
flat angles P-C4'-P energy: -40.080
tors. eta vs tors. theta energy: -71.972
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: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -766.152587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.152587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.152587 (E_RNA)
where:
Base-Base interactions energy: -508.157
where: short stacking energy: -219.043
Base-Backbone interact. energy: 1.565
local terms energy: -259.561414
where:
bonds (distance) C4'-P energy: -48.404
bonds (distance) P-C4' energy: -47.867
flat angles C4'-P-C4' energy: -54.561
flat angles P-C4'-P energy: -41.788
tors. eta vs tors. theta energy: -66.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -730.726724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.726724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.726724 (E_RNA)
where:
Base-Base interactions energy: -495.493
where: short stacking energy: -207.813
Base-Backbone interact. energy: -2.382
local terms energy: -232.851223
where:
bonds (distance) C4'-P energy: -43.251
bonds (distance) P-C4' energy: -44.495
flat angles C4'-P-C4' energy: -54.265
flat angles P-C4'-P energy: -34.518
tors. eta vs tors. theta energy: -56.322
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: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -684.439641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.439641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.439641 (E_RNA)
where:
Base-Base interactions energy: -472.035
where: short stacking energy: -200.210
Base-Backbone interact. energy: -2.338
local terms energy: -210.066512
where:
bonds (distance) C4'-P energy: -37.576
bonds (distance) P-C4' energy: -42.294
flat angles C4'-P-C4' energy: -51.400
flat angles P-C4'-P energy: -23.340
tors. eta vs tors. theta energy: -55.457
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: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -540.744712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.744712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.744712 (E_RNA)
where:
Base-Base interactions energy: -353.807
where: short stacking energy: -157.807
Base-Backbone interact. energy: -0.651
local terms energy: -186.286110
where:
bonds (distance) C4'-P energy: -49.616
bonds (distance) P-C4' energy: -41.303
flat angles C4'-P-C4' energy: -50.573
flat angles P-C4'-P energy: -16.137
tors. eta vs tors. theta energy: -28.656
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: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -289.909266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.909266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.909266 (E_RNA)
where:
Base-Base interactions energy: -132.589
where: short stacking energy: -93.062
Base-Backbone interact. energy: 0.596
local terms energy: -157.915927
where:
bonds (distance) C4'-P energy: -36.749
bonds (distance) P-C4' energy: -46.522
flat angles C4'-P-C4' energy: -36.983
flat angles P-C4'-P energy: -27.330
tors. eta vs tors. theta energy: -10.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -234.970989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.970989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.970989 (E_RNA)
where:
Base-Base interactions energy: -86.817
where: short stacking energy: -62.440
Base-Backbone interact. energy: 1.252
local terms energy: -149.406396
where:
bonds (distance) C4'-P energy: -47.844
bonds (distance) P-C4' energy: -42.557
flat angles C4'-P-C4' energy: -50.365
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: 6.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -951.228877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.228877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.228877 (E_RNA)
where:
Base-Base interactions energy: -645.095
where: short stacking energy: -275.659
Base-Backbone interact. energy: -2.488
local terms energy: -303.645883
where:
bonds (distance) C4'-P energy: -57.701
bonds (distance) P-C4' energy: -59.154
flat angles C4'-P-C4' energy: -59.627
flat angles P-C4'-P energy: -40.593
tors. eta vs tors. theta energy: -86.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -918.716922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.716922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.716922 (E_RNA)
where:
Base-Base interactions energy: -641.801
where: short stacking energy: -255.025
Base-Backbone interact. energy: -2.775
local terms energy: -274.140370
where:
bonds (distance) C4'-P energy: -47.997
bonds (distance) P-C4' energy: -46.369
flat angles C4'-P-C4' energy: -58.949
flat angles P-C4'-P energy: -44.101
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: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -888.554396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.554396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.554396 (E_RNA)
where:
Base-Base interactions energy: -626.797
where: short stacking energy: -246.633
Base-Backbone interact. energy: -2.002
local terms energy: -259.756176
where:
bonds (distance) C4'-P energy: -50.543
bonds (distance) P-C4' energy: -39.208
flat angles C4'-P-C4' energy: -58.776
flat angles P-C4'-P energy: -40.494
tors. eta vs tors. theta energy: -70.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -797.373607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.373607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.373607 (E_RNA)
where:
Base-Base interactions energy: -538.315
where: short stacking energy: -228.370
Base-Backbone interact. energy: -0.933
local terms energy: -258.126161
where:
bonds (distance) C4'-P energy: -49.743
bonds (distance) P-C4' energy: -47.574
flat angles C4'-P-C4' energy: -57.777
flat angles P-C4'-P energy: -34.705
tors. eta vs tors. theta energy: -68.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -842.320655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.320655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.320655 (E_RNA)
where:
Base-Base interactions energy: -577.041
where: short stacking energy: -243.574
Base-Backbone interact. energy: -1.655
local terms energy: -263.624704
where:
bonds (distance) C4'-P energy: -37.268
bonds (distance) P-C4' energy: -56.302
flat angles C4'-P-C4' energy: -58.853
flat angles P-C4'-P energy: -37.786
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: 6, replica: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -733.827316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.827316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.827316 (E_RNA)
where:
Base-Base interactions energy: -499.052
where: short stacking energy: -210.837
Base-Backbone interact. energy: -2.193
local terms energy: -232.581580
where:
bonds (distance) C4'-P energy: -46.903
bonds (distance) P-C4' energy: -46.917
flat angles C4'-P-C4' energy: -54.158
flat angles P-C4'-P energy: -28.317
tors. eta vs tors. theta energy: -56.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -708.511996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.511996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.511996 (E_RNA)
where:
Base-Base interactions energy: -488.072
where: short stacking energy: -216.706
Base-Backbone interact. energy: -0.854
local terms energy: -219.586595
where:
bonds (distance) C4'-P energy: -44.095
bonds (distance) P-C4' energy: -40.979
flat angles C4'-P-C4' energy: -49.919
flat angles P-C4'-P energy: -31.613
tors. eta vs tors. theta energy: -52.980
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: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -501.964449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.964449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.964449 (E_RNA)
where:
Base-Base interactions energy: -319.061
where: short stacking energy: -142.576
Base-Backbone interact. energy: 2.514
local terms energy: -185.417952
where:
bonds (distance) C4'-P energy: -42.228
bonds (distance) P-C4' energy: -55.354
flat angles C4'-P-C4' energy: -38.713
flat angles P-C4'-P energy: -25.319
tors. eta vs tors. theta energy: -23.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -274.937069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.937069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.937069 (E_RNA)
where:
Base-Base interactions energy: -116.060
where: short stacking energy: -78.227
Base-Backbone interact. energy: -0.633
local terms energy: -158.243926
where:
bonds (distance) C4'-P energy: -45.157
bonds (distance) P-C4' energy: -47.244
flat angles C4'-P-C4' energy: -37.530
flat angles P-C4'-P energy: -24.083
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -250.558371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.558371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.558371 (E_RNA)
where:
Base-Base interactions energy: -94.696
where: short stacking energy: -89.999
Base-Backbone interact. energy: -0.454
local terms energy: -155.408137
where:
bonds (distance) C4'-P energy: -42.061
bonds (distance) P-C4' energy: -43.121
flat angles C4'-P-C4' energy: -37.213
flat angles P-C4'-P energy: -30.959
tors. eta vs tors. theta energy: -2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -945.774507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.774507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.774507 (E_RNA)
where:
Base-Base interactions energy: -657.641
where: short stacking energy: -276.916
Base-Backbone interact. energy: -1.394
local terms energy: -286.739502
where:
bonds (distance) C4'-P energy: -52.278
bonds (distance) P-C4' energy: -48.801
flat angles C4'-P-C4' energy: -60.291
flat angles P-C4'-P energy: -39.841
tors. eta vs tors. theta energy: -85.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -944.751342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.751342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.751342 (E_RNA)
where:
Base-Base interactions energy: -646.548
where: short stacking energy: -258.942
Base-Backbone interact. energy: -1.740
local terms energy: -296.462941
where:
bonds (distance) C4'-P energy: -59.439
bonds (distance) P-C4' energy: -53.845
flat angles C4'-P-C4' energy: -62.007
flat angles P-C4'-P energy: -41.262
tors. eta vs tors. theta energy: -79.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -877.644192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.644192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.644192 (E_RNA)
where:
Base-Base interactions energy: -635.898
where: short stacking energy: -247.954
Base-Backbone interact. energy: -0.977
local terms energy: -240.769012
where:
bonds (distance) C4'-P energy: -41.933
bonds (distance) P-C4' energy: -43.064
flat angles C4'-P-C4' energy: -51.545
flat angles P-C4'-P energy: -34.865
tors. eta vs tors. theta energy: -69.362
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: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -783.216239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.216239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.216239 (E_RNA)
where:
Base-Base interactions energy: -533.809
where: short stacking energy: -235.153
Base-Backbone interact. energy: -0.960
local terms energy: -248.447445
where:
bonds (distance) C4'-P energy: -45.794
bonds (distance) P-C4' energy: -45.654
flat angles C4'-P-C4' energy: -60.143
flat angles P-C4'-P energy: -34.952
tors. eta vs tors. theta energy: -61.903
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: 3
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -850.865382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.865382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.865382 (E_RNA)
where:
Base-Base interactions energy: -589.087
where: short stacking energy: -232.479
Base-Backbone interact. energy: -1.769
local terms energy: -260.009487
where:
bonds (distance) C4'-P energy: -50.372
bonds (distance) P-C4' energy: -50.016
flat angles C4'-P-C4' energy: -56.298
flat angles P-C4'-P energy: -39.990
tors. eta vs tors. theta energy: -63.333
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: 6, replica: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -712.733960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.733960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.733960 (E_RNA)
where:
Base-Base interactions energy: -486.769
where: short stacking energy: -209.851
Base-Backbone interact. energy: -1.469
local terms energy: -224.496284
where:
bonds (distance) C4'-P energy: -27.185
bonds (distance) P-C4' energy: -49.101
flat angles C4'-P-C4' energy: -51.831
flat angles P-C4'-P energy: -37.137
tors. eta vs tors. theta energy: -59.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -702.102743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.102743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.102743 (E_RNA)
where:
Base-Base interactions energy: -477.437
where: short stacking energy: -212.260
Base-Backbone interact. energy: -0.612
local terms energy: -224.054245
where:
bonds (distance) C4'-P energy: -46.274
bonds (distance) P-C4' energy: -43.101
flat angles C4'-P-C4' energy: -50.685
flat angles P-C4'-P energy: -26.730
tors. eta vs tors. theta energy: -57.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -470.035519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.035519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.035519 (E_RNA)
where:
Base-Base interactions energy: -272.493
where: short stacking energy: -124.141
Base-Backbone interact. energy: 2.529
local terms energy: -200.071959
where:
bonds (distance) C4'-P energy: -46.886
bonds (distance) P-C4' energy: -51.109
flat angles C4'-P-C4' energy: -41.238
flat angles P-C4'-P energy: -29.528
tors. eta vs tors. theta energy: -31.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -272.004336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.004336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.004336 (E_RNA)
where:
Base-Base interactions energy: -121.184
where: short stacking energy: -97.231
Base-Backbone interact. energy: -2.124
local terms energy: -148.696386
where:
bonds (distance) C4'-P energy: -44.483
bonds (distance) P-C4' energy: -44.659
flat angles C4'-P-C4' energy: -37.094
flat angles P-C4'-P energy: -24.107
tors. eta vs tors. theta energy: 1.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -231.929413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.929413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.929413 (E_RNA)
where:
Base-Base interactions energy: -90.787
where: short stacking energy: -67.504
Base-Backbone interact. energy: 0.777
local terms energy: -141.918802
where:
bonds (distance) C4'-P energy: -38.414
bonds (distance) P-C4' energy: -47.163
flat angles C4'-P-C4' energy: -42.820
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: 5.499
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: 5
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -945.458084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.458084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.458084 (E_RNA)
where:
Base-Base interactions energy: -648.014
where: short stacking energy: -267.142
Base-Backbone interact. energy: -2.038
local terms energy: -295.405948
where:
bonds (distance) C4'-P energy: -51.777
bonds (distance) P-C4' energy: -50.915
flat angles C4'-P-C4' energy: -62.443
flat angles P-C4'-P energy: -50.450
tors. eta vs tors. theta energy: -79.821
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: 179
Temperature: 0.950000
Total energy: -913.828871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.828871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.828871 (E_RNA)
where:
Base-Base interactions energy: -644.818
where: short stacking energy: -255.272
Base-Backbone interact. energy: -1.487
local terms energy: -267.523489
where:
bonds (distance) C4'-P energy: -42.841
bonds (distance) P-C4' energy: -61.300
flat angles C4'-P-C4' energy: -52.203
flat angles P-C4'-P energy: -40.336
tors. eta vs tors. theta energy: -70.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -891.839444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.839444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.839444 (E_RNA)
where:
Base-Base interactions energy: -612.943
where: short stacking energy: -251.777
Base-Backbone interact. energy: -1.336
local terms energy: -277.560527
where:
bonds (distance) C4'-P energy: -58.023
bonds (distance) P-C4' energy: -48.725
flat angles C4'-P-C4' energy: -54.627
flat angles P-C4'-P energy: -40.875
tors. eta vs tors. theta energy: -75.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -878.095134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.095134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.095134 (E_RNA)
where:
Base-Base interactions energy: -620.470
where: short stacking energy: -267.117
Base-Backbone interact. energy: 3.830
local terms energy: -261.455108
where:
bonds (distance) C4'-P energy: -47.873
bonds (distance) P-C4' energy: -43.284
flat angles C4'-P-C4' energy: -48.620
flat angles P-C4'-P energy: -43.322
tors. eta vs tors. theta energy: -78.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -767.733630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.733630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.733630 (E_RNA)
where:
Base-Base interactions energy: -511.569
where: short stacking energy: -222.918
Base-Backbone interact. energy: -0.014
local terms energy: -256.150815
where:
bonds (distance) C4'-P energy: -41.913
bonds (distance) P-C4' energy: -56.747
flat angles C4'-P-C4' energy: -54.287
flat angles P-C4'-P energy: -35.265
tors. eta vs tors. theta energy: -67.939
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: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -746.361288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.361288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.361288 (E_RNA)
where:
Base-Base interactions energy: -506.315
where: short stacking energy: -221.808
Base-Backbone interact. energy: -0.460
local terms energy: -239.585893
where:
bonds (distance) C4'-P energy: -43.378
bonds (distance) P-C4' energy: -47.430
flat angles C4'-P-C4' energy: -47.627
flat angles P-C4'-P energy: -37.337
tors. eta vs tors. theta energy: -63.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -738.822452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.822452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.822452 (E_RNA)
where:
Base-Base interactions energy: -487.710
where: short stacking energy: -211.562
Base-Backbone interact. energy: -2.163
local terms energy: -248.949670
where:
bonds (distance) C4'-P energy: -45.666
bonds (distance) P-C4' energy: -48.634
flat angles C4'-P-C4' energy: -51.124
flat angles P-C4'-P energy: -36.182
tors. eta vs tors. theta energy: -67.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -510.773915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.773915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.773915 (E_RNA)
where:
Base-Base interactions energy: -312.718
where: short stacking energy: -161.303
Base-Backbone interact. energy: -0.417
local terms energy: -197.638833
where:
bonds (distance) C4'-P energy: -44.600
bonds (distance) P-C4' energy: -47.031
flat angles C4'-P-C4' energy: -40.055
flat angles P-C4'-P energy: -27.616
tors. eta vs tors. theta energy: -38.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -256.719686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.719686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.719686 (E_RNA)
where:
Base-Base interactions energy: -102.408
where: short stacking energy: -99.436
Base-Backbone interact. energy: -0.147
local terms energy: -154.163990
where:
bonds (distance) C4'-P energy: -32.139
bonds (distance) P-C4' energy: -56.156
flat angles C4'-P-C4' energy: -36.126
flat angles P-C4'-P energy: -19.754
tors. eta vs tors. theta energy: -9.989
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: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -238.823948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.823948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.823948 (E_RNA)
where:
Base-Base interactions energy: -75.183
where: short stacking energy: -66.527
Base-Backbone interact. energy: -1.413
local terms energy: -162.227883
where:
bonds (distance) C4'-P energy: -40.453
bonds (distance) P-C4' energy: -48.991
flat angles C4'-P-C4' energy: -37.557
flat angles P-C4'-P energy: -25.035
tors. eta vs tors. theta energy: -10.192
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: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -962.418169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.418169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.418169 (E_RNA)
where:
Base-Base interactions energy: -662.375
where: short stacking energy: -285.010
Base-Backbone interact. energy: -0.646
local terms energy: -299.397484
where:
bonds (distance) C4'-P energy: -60.680
bonds (distance) P-C4' energy: -51.946
flat angles C4'-P-C4' energy: -60.125
flat angles P-C4'-P energy: -42.836
tors. eta vs tors. theta energy: -83.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -890.444835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.444835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.444835 (E_RNA)
where:
Base-Base interactions energy: -626.592
where: short stacking energy: -246.254
Base-Backbone interact. energy: -0.962
local terms energy: -262.890620
where:
bonds (distance) C4'-P energy: -46.914
bonds (distance) P-C4' energy: -47.614
flat angles C4'-P-C4' energy: -56.582
flat angles P-C4'-P energy: -38.152
tors. eta vs tors. theta energy: -73.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -902.783020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.783020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.783020 (E_RNA)
where:
Base-Base interactions energy: -629.408
where: short stacking energy: -248.948
Base-Backbone interact. energy: 1.016
local terms energy: -274.391172
where:
bonds (distance) C4'-P energy: -49.847
bonds (distance) P-C4' energy: -49.030
flat angles C4'-P-C4' energy: -54.768
flat angles P-C4'-P energy: -41.915
tors. eta vs tors. theta energy: -78.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -868.609969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.609969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.609969 (E_RNA)
where:
Base-Base interactions energy: -610.516
where: short stacking energy: -239.139
Base-Backbone interact. energy: 5.346
local terms energy: -263.440232
where:
bonds (distance) C4'-P energy: -58.787
bonds (distance) P-C4' energy: -52.068
flat angles C4'-P-C4' energy: -47.570
flat angles P-C4'-P energy: -37.336
tors. eta vs tors. theta energy: -67.679
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: 10
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -779.584186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.584186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.584186 (E_RNA)
where:
Base-Base interactions energy: -547.311
where: short stacking energy: -243.260
Base-Backbone interact. energy: 1.139
local terms energy: -233.412578
where:
bonds (distance) C4'-P energy: -41.938
bonds (distance) P-C4' energy: -46.172
flat angles C4'-P-C4' energy: -53.314
flat angles P-C4'-P energy: -37.834
tors. eta vs tors. theta energy: -54.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -726.912694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.912694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.912694 (E_RNA)
where:
Base-Base interactions energy: -500.264
where: short stacking energy: -203.062
Base-Backbone interact. energy: -1.151
local terms energy: -225.497587
where:
bonds (distance) C4'-P energy: -44.052
bonds (distance) P-C4' energy: -52.382
flat angles C4'-P-C4' energy: -38.848
flat angles P-C4'-P energy: -34.404
tors. eta vs tors. theta energy: -55.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -730.011471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.011471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.011471 (E_RNA)
where:
Base-Base interactions energy: -491.199
where: short stacking energy: -217.520
Base-Backbone interact. energy: -1.573
local terms energy: -237.239258
where:
bonds (distance) C4'-P energy: -41.788
bonds (distance) P-C4' energy: -43.877
flat angles C4'-P-C4' energy: -54.738
flat angles P-C4'-P energy: -28.153
tors. eta vs tors. theta energy: -68.683
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: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -512.188527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.188527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.188527 (E_RNA)
where:
Base-Base interactions energy: -311.111
where: short stacking energy: -151.960
Base-Backbone interact. energy: 1.626
local terms energy: -202.703232
where:
bonds (distance) C4'-P energy: -52.847
bonds (distance) P-C4' energy: -47.777
flat angles C4'-P-C4' energy: -48.353
flat angles P-C4'-P energy: -27.966
tors. eta vs tors. theta energy: -25.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -239.675442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.675442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.675442 (E_RNA)
where:
Base-Base interactions energy: -87.394
where: short stacking energy: -74.116
Base-Backbone interact. energy: -0.893
local terms energy: -151.388574
where:
bonds (distance) C4'-P energy: -39.315
bonds (distance) P-C4' energy: -51.639
flat angles C4'-P-C4' energy: -38.340
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -5.936
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: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -248.460578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.460578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.460578 (E_RNA)
where:
Base-Base interactions energy: -94.599
where: short stacking energy: -79.588
Base-Backbone interact. energy: -1.355
local terms energy: -152.506751
where:
bonds (distance) C4'-P energy: -43.504
bonds (distance) P-C4' energy: -52.013
flat angles C4'-P-C4' energy: -39.611
flat angles P-C4'-P energy: -20.714
tors. eta vs tors. theta energy: 3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -961.174368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.174368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.174368 (E_RNA)
where:
Base-Base interactions energy: -666.143
where: short stacking energy: -279.599
Base-Backbone interact. energy: -2.672
local terms energy: -292.359104
where:
bonds (distance) C4'-P energy: -57.690
bonds (distance) P-C4' energy: -53.712
flat angles C4'-P-C4' energy: -54.211
flat angles P-C4'-P energy: -43.016
tors. eta vs tors. theta energy: -83.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -930.437276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.437276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.437276 (E_RNA)
where:
Base-Base interactions energy: -644.884
where: short stacking energy: -275.746
Base-Backbone interact. energy: -1.980
local terms energy: -283.573481
where:
bonds (distance) C4'-P energy: -46.377
bonds (distance) P-C4' energy: -50.016
flat angles C4'-P-C4' energy: -60.296
flat angles P-C4'-P energy: -49.733
tors. eta vs tors. theta energy: -77.151
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: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -889.450199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.450199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.450199 (E_RNA)
where:
Base-Base interactions energy: -615.607
where: short stacking energy: -247.486
Base-Backbone interact. energy: 1.310
local terms energy: -275.154138
where:
bonds (distance) C4'-P energy: -52.645
bonds (distance) P-C4' energy: -52.958
flat angles C4'-P-C4' energy: -55.750
flat angles P-C4'-P energy: -37.119
tors. eta vs tors. theta energy: -76.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -879.974388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.974388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.974388 (E_RNA)
where:
Base-Base interactions energy: -620.846
where: short stacking energy: -258.965
Base-Backbone interact. energy: 2.294
local terms energy: -261.422315
where:
bonds (distance) C4'-P energy: -50.178
bonds (distance) P-C4' energy: -48.274
flat angles C4'-P-C4' energy: -56.784
flat angles P-C4'-P energy: -32.562
tors. eta vs tors. theta energy: -73.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -795.348486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.348486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.348486 (E_RNA)
where:
Base-Base interactions energy: -546.690
where: short stacking energy: -237.366
Base-Backbone interact. energy: -0.241
local terms energy: -248.417158
where:
bonds (distance) C4'-P energy: -40.804
bonds (distance) P-C4' energy: -47.694
flat angles C4'-P-C4' energy: -58.092
flat angles P-C4'-P energy: -34.069
tors. eta vs tors. theta energy: -67.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -756.953921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.953921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.953921 (E_RNA)
where:
Base-Base interactions energy: -502.209
where: short stacking energy: -207.819
Base-Backbone interact. energy: -0.940
local terms energy: -253.803991
where:
bonds (distance) C4'-P energy: -41.223
bonds (distance) P-C4' energy: -53.070
flat angles C4'-P-C4' energy: -57.919
flat angles P-C4'-P energy: -36.660
tors. eta vs tors. theta energy: -64.931
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: 7
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -677.616674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.616674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.616674 (E_RNA)
where:
Base-Base interactions energy: -451.995
where: short stacking energy: -185.333
Base-Backbone interact. energy: -1.557
local terms energy: -224.064967
where:
bonds (distance) C4'-P energy: -38.461
bonds (distance) P-C4' energy: -45.207
flat angles C4'-P-C4' energy: -53.965
flat angles P-C4'-P energy: -38.869
tors. eta vs tors. theta energy: -47.563
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: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -517.239661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.239661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.239661 (E_RNA)
where:
Base-Base interactions energy: -330.554
where: short stacking energy: -145.695
Base-Backbone interact. energy: 0.284
local terms energy: -186.968881
where:
bonds (distance) C4'-P energy: -35.564
bonds (distance) P-C4' energy: -53.845
flat angles C4'-P-C4' energy: -37.656
flat angles P-C4'-P energy: -30.488
tors. eta vs tors. theta energy: -29.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -281.227686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.227686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.227686 (E_RNA)
where:
Base-Base interactions energy: -129.154
where: short stacking energy: -77.573
Base-Backbone interact. energy: -0.249
local terms energy: -151.823976
where:
bonds (distance) C4'-P energy: -50.833
bonds (distance) P-C4' energy: -37.671
flat angles C4'-P-C4' energy: -36.291
flat angles P-C4'-P energy: -20.319
tors. eta vs tors. theta energy: -6.710
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: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -229.216342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.216342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.216342 (E_RNA)
where:
Base-Base interactions energy: -59.187
where: short stacking energy: -57.215
Base-Backbone interact. energy: 0.749
local terms energy: -170.778267
where:
bonds (distance) C4'-P energy: -48.459
bonds (distance) P-C4' energy: -54.010
flat angles C4'-P-C4' energy: -47.879
flat angles P-C4'-P energy: -19.549
tors. eta vs tors. theta energy: -0.881
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: 3
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -952.422830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.422830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.422830 (E_RNA)
where:
Base-Base interactions energy: -659.230
where: short stacking energy: -280.416
Base-Backbone interact. energy: -1.562
local terms energy: -291.630910
where:
bonds (distance) C4'-P energy: -52.481
bonds (distance) P-C4' energy: -54.394
flat angles C4'-P-C4' energy: -58.518
flat angles P-C4'-P energy: -41.377
tors. eta vs tors. theta energy: -84.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -919.843686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.843686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.843686 (E_RNA)
where:
Base-Base interactions energy: -648.315
where: short stacking energy: -265.555
Base-Backbone interact. energy: -1.908
local terms energy: -269.620374
where:
bonds (distance) C4'-P energy: -48.647
bonds (distance) P-C4' energy: -50.727
flat angles C4'-P-C4' energy: -59.880
flat angles P-C4'-P energy: -28.374
tors. eta vs tors. theta energy: -81.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -891.919201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.919201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.919201 (E_RNA)
where:
Base-Base interactions energy: -626.241
where: short stacking energy: -239.452
Base-Backbone interact. energy: 0.585
local terms energy: -266.263224
where:
bonds (distance) C4'-P energy: -53.885
bonds (distance) P-C4' energy: -56.403
flat angles C4'-P-C4' energy: -58.250
flat angles P-C4'-P energy: -30.923
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: 4, replica: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -864.829262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.829262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.829262 (E_RNA)
where:
Base-Base interactions energy: -588.760
where: short stacking energy: -236.043
Base-Backbone interact. energy: -0.623
local terms energy: -275.446710
where:
bonds (distance) C4'-P energy: -56.797
bonds (distance) P-C4' energy: -47.881
flat angles C4'-P-C4' energy: -48.520
flat angles P-C4'-P energy: -44.877
tors. eta vs tors. theta energy: -77.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -817.246853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.246853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.246853 (E_RNA)
where:
Base-Base interactions energy: -556.493
where: short stacking energy: -245.383
Base-Backbone interact. energy: 3.832
local terms energy: -264.584952
where:
bonds (distance) C4'-P energy: -45.768
bonds (distance) P-C4' energy: -57.460
flat angles C4'-P-C4' energy: -55.662
flat angles P-C4'-P energy: -39.953
tors. eta vs tors. theta energy: -65.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -752.787469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.787469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.787469 (E_RNA)
where:
Base-Base interactions energy: -492.736
where: short stacking energy: -221.583
Base-Backbone interact. energy: -1.088
local terms energy: -258.963376
where:
bonds (distance) C4'-P energy: -49.020
bonds (distance) P-C4' energy: -44.397
flat angles C4'-P-C4' energy: -59.162
flat angles P-C4'-P energy: -36.684
tors. eta vs tors. theta energy: -69.700
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: 7
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -652.522097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.522097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.522097 (E_RNA)
where:
Base-Base interactions energy: -426.150
where: short stacking energy: -189.230
Base-Backbone interact. energy: -0.704
local terms energy: -225.668123
where:
bonds (distance) C4'-P energy: -54.062
bonds (distance) P-C4' energy: -44.099
flat angles C4'-P-C4' energy: -45.889
flat angles P-C4'-P energy: -33.419
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: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -516.371544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.371544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.371544 (E_RNA)
where:
Base-Base interactions energy: -331.080
where: short stacking energy: -153.421
Base-Backbone interact. energy: 0.365
local terms energy: -185.656349
where:
bonds (distance) C4'-P energy: -49.948
bonds (distance) P-C4' energy: -44.422
flat angles C4'-P-C4' energy: -33.738
flat angles P-C4'-P energy: -33.589
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: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -269.247615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.247615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.247615 (E_RNA)
where:
Base-Base interactions energy: -123.049
where: short stacking energy: -76.513
Base-Backbone interact. energy: -1.124
local terms energy: -145.074918
where:
bonds (distance) C4'-P energy: -48.597
bonds (distance) P-C4' energy: -40.484
flat angles C4'-P-C4' energy: -29.631
flat angles P-C4'-P energy: -21.337
tors. eta vs tors. theta energy: -5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -227.722382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.722382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.722382 (E_RNA)
where:
Base-Base interactions energy: -70.599
where: short stacking energy: -59.472
Base-Backbone interact. energy: -3.260
local terms energy: -153.863154
where:
bonds (distance) C4'-P energy: -51.664
bonds (distance) P-C4' energy: -40.245
flat angles C4'-P-C4' energy: -38.161
flat angles P-C4'-P energy: -25.088
tors. eta vs tors. theta energy: 1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -945.807954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.807954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.807954 (E_RNA)
where:
Base-Base interactions energy: -660.406
where: short stacking energy: -273.480
Base-Backbone interact. energy: -1.325
local terms energy: -284.076976
where:
bonds (distance) C4'-P energy: -47.255
bonds (distance) P-C4' energy: -57.562
flat angles C4'-P-C4' energy: -59.559
flat angles P-C4'-P energy: -44.032
tors. eta vs tors. theta energy: -75.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -921.703838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.703838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.703838 (E_RNA)
where:
Base-Base interactions energy: -635.583
where: short stacking energy: -269.706
Base-Backbone interact. energy: -1.502
local terms energy: -284.618116
where:
bonds (distance) C4'-P energy: -50.117
bonds (distance) P-C4' energy: -55.239
flat angles C4'-P-C4' energy: -55.894
flat angles P-C4'-P energy: -40.340
tors. eta vs tors. theta energy: -83.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -877.971707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.971707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.971707 (E_RNA)
where:
Base-Base interactions energy: -619.047
where: short stacking energy: -251.132
Base-Backbone interact. energy: -1.648
local terms energy: -257.277033
where:
bonds (distance) C4'-P energy: -55.308
bonds (distance) P-C4' energy: -43.729
flat angles C4'-P-C4' energy: -54.396
flat angles P-C4'-P energy: -33.761
tors. eta vs tors. theta energy: -70.083
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: 183
Temperature: 1.050000
Total energy: -843.475172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.475172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.475172 (E_RNA)
where:
Base-Base interactions energy: -576.843
where: short stacking energy: -253.076
Base-Backbone interact. energy: 0.914
local terms energy: -267.546508
where:
bonds (distance) C4'-P energy: -53.150
bonds (distance) P-C4' energy: -52.139
flat angles C4'-P-C4' energy: -52.394
flat angles P-C4'-P energy: -40.893
tors. eta vs tors. theta energy: -68.970
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: 5, replica: 1
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -825.915933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.915933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.915933 (E_RNA)
where:
Base-Base interactions energy: -570.201
where: short stacking energy: -226.026
Base-Backbone interact. energy: 1.231
local terms energy: -256.946809
where:
bonds (distance) C4'-P energy: -49.565
bonds (distance) P-C4' energy: -47.433
flat angles C4'-P-C4' energy: -60.374
flat angles P-C4'-P energy: -35.013
tors. eta vs tors. theta energy: -64.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -716.003954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.003954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.003954 (E_RNA)
where:
Base-Base interactions energy: -480.951
where: short stacking energy: -200.580
Base-Backbone interact. energy: -1.288
local terms energy: -233.764758
where:
bonds (distance) C4'-P energy: -36.416
bonds (distance) P-C4' energy: -43.030
flat angles C4'-P-C4' energy: -54.687
flat angles P-C4'-P energy: -37.203
tors. eta vs tors. theta energy: -62.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -703.558425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.558425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.558425 (E_RNA)
where:
Base-Base interactions energy: -487.653
where: short stacking energy: -188.483
Base-Backbone interact. energy: -0.970
local terms energy: -214.936015
where:
bonds (distance) C4'-P energy: -31.493
bonds (distance) P-C4' energy: -58.184
flat angles C4'-P-C4' energy: -45.036
flat angles P-C4'-P energy: -30.583
tors. eta vs tors. theta energy: -49.640
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: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -509.571779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.571779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.571779 (E_RNA)
where:
Base-Base interactions energy: -310.119
where: short stacking energy: -150.130
Base-Backbone interact. energy: -1.390
local terms energy: -198.063129
where:
bonds (distance) C4'-P energy: -37.938
bonds (distance) P-C4' energy: -49.087
flat angles C4'-P-C4' energy: -48.419
flat angles P-C4'-P energy: -25.713
tors. eta vs tors. theta energy: -36.906
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: 9, replica: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -286.426143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.426143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.426143 (E_RNA)
where:
Base-Base interactions energy: -127.830
where: short stacking energy: -80.156
Base-Backbone interact. energy: -0.931
local terms energy: -157.664955
where:
bonds (distance) C4'-P energy: -50.914
bonds (distance) P-C4' energy: -39.138
flat angles C4'-P-C4' energy: -38.872
flat angles P-C4'-P energy: -27.257
tors. eta vs tors. theta energy: -1.484
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: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -254.644599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.644599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.644599 (E_RNA)
where:
Base-Base interactions energy: -97.557
where: short stacking energy: -54.163
Base-Backbone interact. energy: -0.665
local terms energy: -156.422355
where:
bonds (distance) C4'-P energy: -51.941
bonds (distance) P-C4' energy: -51.765
flat angles C4'-P-C4' energy: -34.729
flat angles P-C4'-P energy: -16.711
tors. eta vs tors. theta energy: -1.277
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: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -952.961829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.961829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.961829 (E_RNA)
where:
Base-Base interactions energy: -659.568
where: short stacking energy: -272.658
Base-Backbone interact. energy: -2.911
local terms energy: -290.482764
where:
bonds (distance) C4'-P energy: -50.710
bonds (distance) P-C4' energy: -50.072
flat angles C4'-P-C4' energy: -64.784
flat angles P-C4'-P energy: -44.393
tors. eta vs tors. theta energy: -80.524
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: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -943.412315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.412315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.412315 (E_RNA)
where:
Base-Base interactions energy: -659.839
where: short stacking energy: -264.708
Base-Backbone interact. energy: -3.063
local terms energy: -280.510627
where:
bonds (distance) C4'-P energy: -53.037
bonds (distance) P-C4' energy: -50.588
flat angles C4'-P-C4' energy: -59.658
flat angles P-C4'-P energy: -38.858
tors. eta vs tors. theta energy: -78.369
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: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -902.820942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.820942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.820942 (E_RNA)
where:
Base-Base interactions energy: -633.938
where: short stacking energy: -242.896
Base-Backbone interact. energy: -2.087
local terms energy: -266.795249
where:
bonds (distance) C4'-P energy: -49.531
bonds (distance) P-C4' energy: -46.742
flat angles C4'-P-C4' energy: -55.584
flat angles P-C4'-P energy: -45.555
tors. eta vs tors. theta energy: -69.384
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: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -829.709566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.709566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.709566 (E_RNA)
where:
Base-Base interactions energy: -561.681
where: short stacking energy: -247.382
Base-Backbone interact. energy: -0.113
local terms energy: -267.916083
where:
bonds (distance) C4'-P energy: -50.371
bonds (distance) P-C4' energy: -50.825
flat angles C4'-P-C4' energy: -57.035
flat angles P-C4'-P energy: -37.339
tors. eta vs tors. theta energy: -72.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -846.543118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.543118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.543118 (E_RNA)
where:
Base-Base interactions energy: -601.918
where: short stacking energy: -245.624
Base-Backbone interact. energy: -1.373
local terms energy: -243.252434
where:
bonds (distance) C4'-P energy: -47.992
bonds (distance) P-C4' energy: -46.988
flat angles C4'-P-C4' energy: -49.757
flat angles P-C4'-P energy: -31.370
tors. eta vs tors. theta energy: -67.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -663.328101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.328101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.328101 (E_RNA)
where:
Base-Base interactions energy: -440.488
where: short stacking energy: -190.028
Base-Backbone interact. energy: 1.059
local terms energy: -223.899034
where:
bonds (distance) C4'-P energy: -42.697
bonds (distance) P-C4' energy: -54.730
flat angles C4'-P-C4' energy: -44.907
flat angles P-C4'-P energy: -33.734
tors. eta vs tors. theta energy: -47.831
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: 184
Temperature: 1.200000
Total energy: -712.777996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.777996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.777996 (E_RNA)
where:
Base-Base interactions energy: -503.728
where: short stacking energy: -198.844
Base-Backbone interact. energy: -0.429
local terms energy: -208.621488
where:
bonds (distance) C4'-P energy: -39.599
bonds (distance) P-C4' energy: -43.052
flat angles C4'-P-C4' energy: -43.924
flat angles P-C4'-P energy: -29.876
tors. eta vs tors. theta energy: -52.170
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: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -490.583910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.583910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.583910 (E_RNA)
where:
Base-Base interactions energy: -301.029
where: short stacking energy: -156.368
Base-Backbone interact. energy: -0.490
local terms energy: -189.065155
where:
bonds (distance) C4'-P energy: -42.857
bonds (distance) P-C4' energy: -45.936
flat angles C4'-P-C4' energy: -45.582
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: -36.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -309.071903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.071903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.071903 (E_RNA)
where:
Base-Base interactions energy: -154.257
where: short stacking energy: -90.612
Base-Backbone interact. energy: 6.556
local terms energy: -161.370461
where:
bonds (distance) C4'-P energy: -46.535
bonds (distance) P-C4' energy: -42.344
flat angles C4'-P-C4' energy: -44.495
flat angles P-C4'-P energy: -27.332
tors. eta vs tors. theta energy: -0.665
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: 10, replica: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -257.351009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.351009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.351009 (E_RNA)
where:
Base-Base interactions energy: -115.494
where: short stacking energy: -81.913
Base-Backbone interact. energy: -0.652
local terms energy: -141.204968
where:
bonds (distance) C4'-P energy: -42.587
bonds (distance) P-C4' energy: -39.092
flat angles C4'-P-C4' energy: -33.949
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -6.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -964.169873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.169873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.169873 (E_RNA)
where:
Base-Base interactions energy: -672.844
where: short stacking energy: -282.794
Base-Backbone interact. energy: -1.822
local terms energy: -289.503995
where:
bonds (distance) C4'-P energy: -54.779
bonds (distance) P-C4' energy: -49.514
flat angles C4'-P-C4' energy: -62.814
flat angles P-C4'-P energy: -37.352
tors. eta vs tors. theta energy: -85.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -942.523366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.523366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.523366 (E_RNA)
where:
Base-Base interactions energy: -644.249
where: short stacking energy: -267.012
Base-Backbone interact. energy: -1.641
local terms energy: -296.633154
where:
bonds (distance) C4'-P energy: -55.539
bonds (distance) P-C4' energy: -54.165
flat angles C4'-P-C4' energy: -60.900
flat angles P-C4'-P energy: -44.022
tors. eta vs tors. theta energy: -82.007
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: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -882.751075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.751075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.751075 (E_RNA)
where:
Base-Base interactions energy: -630.577
where: short stacking energy: -243.393
Base-Backbone interact. energy: -1.334
local terms energy: -250.840535
where:
bonds (distance) C4'-P energy: -46.296
bonds (distance) P-C4' energy: -48.693
flat angles C4'-P-C4' energy: -48.834
flat angles P-C4'-P energy: -38.502
tors. eta vs tors. theta energy: -68.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -845.456982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.456982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.456982 (E_RNA)
where:
Base-Base interactions energy: -600.417
where: short stacking energy: -238.909
Base-Backbone interact. energy: -1.544
local terms energy: -243.496231
where:
bonds (distance) C4'-P energy: -45.493
bonds (distance) P-C4' energy: -44.242
flat angles C4'-P-C4' energy: -52.314
flat angles P-C4'-P energy: -35.784
tors. eta vs tors. theta energy: -65.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -800.190970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.190970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.190970 (E_RNA)
where:
Base-Base interactions energy: -542.184
where: short stacking energy: -240.282
Base-Backbone interact. energy: -0.889
local terms energy: -257.117698
where:
bonds (distance) C4'-P energy: -53.257
bonds (distance) P-C4' energy: -39.623
flat angles C4'-P-C4' energy: -54.838
flat angles P-C4'-P energy: -39.319
tors. eta vs tors. theta energy: -70.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -757.880995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.880995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.880995 (E_RNA)
where:
Base-Base interactions energy: -517.160
where: short stacking energy: -207.615
Base-Backbone interact. energy: -0.159
local terms energy: -240.562105
where:
bonds (distance) C4'-P energy: -40.850
bonds (distance) P-C4' energy: -53.931
flat angles C4'-P-C4' energy: -50.434
flat angles P-C4'-P energy: -38.329
tors. eta vs tors. theta energy: -57.018
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: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -647.608821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.608821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.608821 (E_RNA)
where:
Base-Base interactions energy: -431.571
where: short stacking energy: -186.769
Base-Backbone interact. energy: -1.238
local terms energy: -214.799686
where:
bonds (distance) C4'-P energy: -39.449
bonds (distance) P-C4' energy: -45.094
flat angles C4'-P-C4' energy: -59.071
flat angles P-C4'-P energy: -29.109
tors. eta vs tors. theta energy: -42.076
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: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -491.098462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.098462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.098462 (E_RNA)
where:
Base-Base interactions energy: -285.459
where: short stacking energy: -135.200
Base-Backbone interact. energy: -1.161
local terms energy: -204.477969
where:
bonds (distance) C4'-P energy: -42.175
bonds (distance) P-C4' energy: -54.002
flat angles C4'-P-C4' energy: -52.190
flat angles P-C4'-P energy: -27.947
tors. eta vs tors. theta energy: -28.163
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: 185
Temperature: 1.300000
Total energy: -298.937108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.937108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.937108 (E_RNA)
where:
Base-Base interactions energy: -145.468
where: short stacking energy: -107.748
Base-Backbone interact. energy: 2.650
local terms energy: -156.118921
where:
bonds (distance) C4'-P energy: -37.034
bonds (distance) P-C4' energy: -37.114
flat angles C4'-P-C4' energy: -38.296
flat angles P-C4'-P energy: -25.182
tors. eta vs tors. theta energy: -18.493
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: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -299.613290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.613290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.613290 (E_RNA)
where:
Base-Base interactions energy: -134.962
where: short stacking energy: -97.808
Base-Backbone interact. energy: 0.381
local terms energy: -165.031337
where:
bonds (distance) C4'-P energy: -34.602
bonds (distance) P-C4' energy: -42.013
flat angles C4'-P-C4' energy: -47.979
flat angles P-C4'-P energy: -30.473
tors. eta vs tors. theta energy: -9.964
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: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -960.988919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.988919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.988919 (E_RNA)
where:
Base-Base interactions energy: -673.594
where: short stacking energy: -284.790
Base-Backbone interact. energy: -2.533
local terms energy: -284.861687
where:
bonds (distance) C4'-P energy: -46.469
bonds (distance) P-C4' energy: -59.009
flat angles C4'-P-C4' energy: -61.149
flat angles P-C4'-P energy: -34.264
tors. eta vs tors. theta energy: -83.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -939.338771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.338771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.338771 (E_RNA)
where:
Base-Base interactions energy: -644.372
where: short stacking energy: -272.373
Base-Backbone interact. energy: 4.075
local terms energy: -299.041497
where:
bonds (distance) C4'-P energy: -56.158
bonds (distance) P-C4' energy: -56.726
flat angles C4'-P-C4' energy: -63.406
flat angles P-C4'-P energy: -41.572
tors. eta vs tors. theta energy: -81.179
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: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -884.152523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.152523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.152523 (E_RNA)
where:
Base-Base interactions energy: -638.464
where: short stacking energy: -256.358
Base-Backbone interact. energy: -2.017
local terms energy: -243.671721
where:
bonds (distance) C4'-P energy: -48.674
bonds (distance) P-C4' energy: -39.060
flat angles C4'-P-C4' energy: -53.884
flat angles P-C4'-P energy: -32.909
tors. eta vs tors. theta energy: -69.144
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: 186
Temperature: 1.050000
Total energy: -869.611025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.611025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.611025 (E_RNA)
where:
Base-Base interactions energy: -611.652
where: short stacking energy: -237.032
Base-Backbone interact. energy: 4.362
local terms energy: -262.320398
where:
bonds (distance) C4'-P energy: -53.912
bonds (distance) P-C4' energy: -57.852
flat angles C4'-P-C4' energy: -53.987
flat angles P-C4'-P energy: -32.195
tors. eta vs tors. theta energy: -64.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -807.266727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.266727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.266727 (E_RNA)
where:
Base-Base interactions energy: -546.327
where: short stacking energy: -232.507
Base-Backbone interact. energy: 1.134
local terms energy: -262.073551
where:
bonds (distance) C4'-P energy: -45.980
bonds (distance) P-C4' energy: -51.039
flat angles C4'-P-C4' energy: -59.242
flat angles P-C4'-P energy: -41.149
tors. eta vs tors. theta energy: -64.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -761.686216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.686216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.686216 (E_RNA)
where:
Base-Base interactions energy: -517.983
where: short stacking energy: -213.865
Base-Backbone interact. energy: -1.048
local terms energy: -242.655417
where:
bonds (distance) C4'-P energy: -43.943
bonds (distance) P-C4' energy: -44.660
flat angles C4'-P-C4' energy: -52.683
flat angles P-C4'-P energy: -41.912
tors. eta vs tors. theta energy: -59.458
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: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -641.194208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.194208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.194208 (E_RNA)
where:
Base-Base interactions energy: -427.780
where: short stacking energy: -174.159
Base-Backbone interact. energy: -0.341
local terms energy: -213.073578
where:
bonds (distance) C4'-P energy: -46.082
bonds (distance) P-C4' energy: -46.357
flat angles C4'-P-C4' energy: -45.047
flat angles P-C4'-P energy: -31.836
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: 8, replica: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -512.980238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.980238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.980238 (E_RNA)
where:
Base-Base interactions energy: -323.667
where: short stacking energy: -153.185
Base-Backbone interact. energy: -0.727
local terms energy: -188.586230
where:
bonds (distance) C4'-P energy: -46.103
bonds (distance) P-C4' energy: -38.250
flat angles C4'-P-C4' energy: -40.539
flat angles P-C4'-P energy: -30.862
tors. eta vs tors. theta energy: -32.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -335.951569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.951569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.951569 (E_RNA)
where:
Base-Base interactions energy: -163.524
where: short stacking energy: -118.191
Base-Backbone interact. energy: -0.709
local terms energy: -171.718663
where:
bonds (distance) C4'-P energy: -33.571
bonds (distance) P-C4' energy: -51.234
flat angles C4'-P-C4' energy: -40.882
flat angles P-C4'-P energy: -21.307
tors. eta vs tors. theta energy: -24.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -223.216318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.216318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.216318 (E_RNA)
where:
Base-Base interactions energy: -65.143
where: short stacking energy: -58.910
Base-Backbone interact. energy: -1.400
local terms energy: -156.673107
where:
bonds (distance) C4'-P energy: -37.022
bonds (distance) P-C4' energy: -52.644
flat angles C4'-P-C4' energy: -47.166
flat angles P-C4'-P energy: -30.940
tors. eta vs tors. theta energy: 11.098
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: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -951.810133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.810133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.810133 (E_RNA)
where:
Base-Base interactions energy: -659.585
where: short stacking energy: -267.946
Base-Backbone interact. energy: 1.142
local terms energy: -293.367070
where:
bonds (distance) C4'-P energy: -53.746
bonds (distance) P-C4' energy: -56.864
flat angles C4'-P-C4' energy: -63.628
flat angles P-C4'-P energy: -38.424
tors. eta vs tors. theta energy: -80.705
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: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -934.166767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.166767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.166767 (E_RNA)
where:
Base-Base interactions energy: -643.943
where: short stacking energy: -279.757
Base-Backbone interact. energy: -0.978
local terms energy: -289.246526
where:
bonds (distance) C4'-P energy: -47.277
bonds (distance) P-C4' energy: -53.149
flat angles C4'-P-C4' energy: -60.223
flat angles P-C4'-P energy: -39.526
tors. eta vs tors. theta energy: -89.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -884.833243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.833243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.833243 (E_RNA)
where:
Base-Base interactions energy: -629.584
where: short stacking energy: -239.944
Base-Backbone interact. energy: -1.921
local terms energy: -253.327534
where:
bonds (distance) C4'-P energy: -45.350
bonds (distance) P-C4' energy: -54.116
flat angles C4'-P-C4' energy: -52.256
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -69.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -855.682242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.682242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.682242 (E_RNA)
where:
Base-Base interactions energy: -613.493
where: short stacking energy: -228.191
Base-Backbone interact. energy: 0.146
local terms energy: -242.334553
where:
bonds (distance) C4'-P energy: -44.495
bonds (distance) P-C4' energy: -46.288
flat angles C4'-P-C4' energy: -56.677
flat angles P-C4'-P energy: -37.348
tors. eta vs tors. theta energy: -57.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -787.160757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.160757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.160757 (E_RNA)
where:
Base-Base interactions energy: -541.394
where: short stacking energy: -232.557
Base-Backbone interact. energy: -0.802
local terms energy: -244.965063
where:
bonds (distance) C4'-P energy: -41.112
bonds (distance) P-C4' energy: -48.448
flat angles C4'-P-C4' energy: -53.379
flat angles P-C4'-P energy: -36.930
tors. eta vs tors. theta energy: -65.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -770.944174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.944174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.944174 (E_RNA)
where:
Base-Base interactions energy: -526.547
where: short stacking energy: -228.978
Base-Backbone interact. energy: -0.747
local terms energy: -243.650305
where:
bonds (distance) C4'-P energy: -52.789
bonds (distance) P-C4' energy: -47.144
flat angles C4'-P-C4' energy: -42.187
flat angles P-C4'-P energy: -41.695
tors. eta vs tors. theta energy: -59.835
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: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -671.476252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.476252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.476252 (E_RNA)
where:
Base-Base interactions energy: -444.566
where: short stacking energy: -199.938
Base-Backbone interact. energy: -1.989
local terms energy: -224.920674
where:
bonds (distance) C4'-P energy: -48.564
bonds (distance) P-C4' energy: -41.813
flat angles C4'-P-C4' energy: -45.366
flat angles P-C4'-P energy: -38.900
tors. eta vs tors. theta energy: -50.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -542.230453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.230453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.230453 (E_RNA)
where:
Base-Base interactions energy: -334.921
where: short stacking energy: -146.040
Base-Backbone interact. energy: -1.540
local terms energy: -205.768753
where:
bonds (distance) C4'-P energy: -45.541
bonds (distance) P-C4' energy: -45.559
flat angles C4'-P-C4' energy: -50.389
flat angles P-C4'-P energy: -28.445
tors. eta vs tors. theta energy: -35.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -317.309167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.309167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.309167 (E_RNA)
where:
Base-Base interactions energy: -159.215
where: short stacking energy: -100.624
Base-Backbone interact. energy: -1.777
local terms energy: -156.316692
where:
bonds (distance) C4'-P energy: -41.377
bonds (distance) P-C4' energy: -43.300
flat angles C4'-P-C4' energy: -39.732
flat angles P-C4'-P energy: -21.297
tors. eta vs tors. theta energy: -10.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -267.281120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.281120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.281120 (E_RNA)
where:
Base-Base interactions energy: -112.506
where: short stacking energy: -70.599
Base-Backbone interact. energy: -0.046
local terms energy: -154.728743
where:
bonds (distance) C4'-P energy: -36.676
bonds (distance) P-C4' energy: -45.730
flat angles C4'-P-C4' energy: -42.430
flat angles P-C4'-P energy: -29.340
tors. eta vs tors. theta energy: -0.552
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: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -945.769104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.769104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.769104 (E_RNA)
where:
Base-Base interactions energy: -660.118
where: short stacking energy: -267.303
Base-Backbone interact. energy: -0.857
local terms energy: -284.794335
where:
bonds (distance) C4'-P energy: -60.870
bonds (distance) P-C4' energy: -45.293
flat angles C4'-P-C4' energy: -59.702
flat angles P-C4'-P energy: -37.484
tors. eta vs tors. theta energy: -81.445
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: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -916.921391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.921391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.921391 (E_RNA)
where:
Base-Base interactions energy: -623.462
where: short stacking energy: -263.020
Base-Backbone interact. energy: -2.654
local terms energy: -290.804770
where:
bonds (distance) C4'-P energy: -57.268
bonds (distance) P-C4' energy: -57.930
flat angles C4'-P-C4' energy: -56.964
flat angles P-C4'-P energy: -33.894
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: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -865.665707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.665707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.665707 (E_RNA)
where:
Base-Base interactions energy: -608.300
where: short stacking energy: -243.945
Base-Backbone interact. energy: -0.648
local terms energy: -256.717800
where:
bonds (distance) C4'-P energy: -42.251
bonds (distance) P-C4' energy: -48.058
flat angles C4'-P-C4' energy: -57.279
flat angles P-C4'-P energy: -32.984
tors. eta vs tors. theta energy: -76.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -866.551751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.551751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.551751 (E_RNA)
where:
Base-Base interactions energy: -605.199
where: short stacking energy: -231.324
Base-Backbone interact. energy: 0.934
local terms energy: -262.286714
where:
bonds (distance) C4'-P energy: -53.565
bonds (distance) P-C4' energy: -55.057
flat angles C4'-P-C4' energy: -56.736
flat angles P-C4'-P energy: -34.551
tors. eta vs tors. theta energy: -62.378
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: 10
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -799.300127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.300127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.300127 (E_RNA)
where:
Base-Base interactions energy: -542.201
where: short stacking energy: -249.687
Base-Backbone interact. energy: -1.190
local terms energy: -255.909327
where:
bonds (distance) C4'-P energy: -46.470
bonds (distance) P-C4' energy: -52.151
flat angles C4'-P-C4' energy: -53.397
flat angles P-C4'-P energy: -31.632
tors. eta vs tors. theta energy: -72.260
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: 7
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -771.691236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.691236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.691236 (E_RNA)
where:
Base-Base interactions energy: -532.480
where: short stacking energy: -224.993
Base-Backbone interact. energy: -0.782
local terms energy: -238.429572
where:
bonds (distance) C4'-P energy: -31.104
bonds (distance) P-C4' energy: -51.400
flat angles C4'-P-C4' energy: -49.781
flat angles P-C4'-P energy: -42.460
tors. eta vs tors. theta energy: -63.685
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: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -686.054455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.054455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.054455 (E_RNA)
where:
Base-Base interactions energy: -437.345
where: short stacking energy: -195.891
Base-Backbone interact. energy: -1.251
local terms energy: -247.459230
where:
bonds (distance) C4'-P energy: -47.036
bonds (distance) P-C4' energy: -47.750
flat angles C4'-P-C4' energy: -50.990
flat angles P-C4'-P energy: -44.435
tors. eta vs tors. theta energy: -57.249
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: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -554.851816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.851816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.851816 (E_RNA)
where:
Base-Base interactions energy: -359.598
where: short stacking energy: -161.957
Base-Backbone interact. energy: -0.278
local terms energy: -194.976340
where:
bonds (distance) C4'-P energy: -51.246
bonds (distance) P-C4' energy: -26.737
flat angles C4'-P-C4' energy: -49.121
flat angles P-C4'-P energy: -29.330
tors. eta vs tors. theta energy: -38.543
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: 188
Temperature: 1.300000
Total energy: -360.028691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.028691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.028691 (E_RNA)
where:
Base-Base interactions energy: -185.885
where: short stacking energy: -114.777
Base-Backbone interact. energy: 0.877
local terms energy: -175.020832
where:
bonds (distance) C4'-P energy: -44.951
bonds (distance) P-C4' energy: -53.021
flat angles C4'-P-C4' energy: -41.567
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -14.399
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: 188
Temperature: 1.350000
Total energy: -266.305692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.305692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.305692 (E_RNA)
where:
Base-Base interactions energy: -120.315
where: short stacking energy: -73.747
Base-Backbone interact. energy: -1.310
local terms energy: -144.680500
where:
bonds (distance) C4'-P energy: -38.478
bonds (distance) P-C4' energy: -47.499
flat angles C4'-P-C4' energy: -47.068
flat angles P-C4'-P energy: -16.452
tors. eta vs tors. theta energy: 4.816
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: 1, replica: 3
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -946.319728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.319728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.319728 (E_RNA)
where:
Base-Base interactions energy: -660.527
where: short stacking energy: -264.332
Base-Backbone interact. energy: -3.644
local terms energy: -282.148501
where:
bonds (distance) C4'-P energy: -55.911
bonds (distance) P-C4' energy: -54.642
flat angles C4'-P-C4' energy: -61.030
flat angles P-C4'-P energy: -32.072
tors. eta vs tors. theta energy: -78.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -926.638043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.638043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.638043 (E_RNA)
where:
Base-Base interactions energy: -639.618
where: short stacking energy: -276.034
Base-Backbone interact. energy: 0.078
local terms energy: -287.097738
where:
bonds (distance) C4'-P energy: -49.324
bonds (distance) P-C4' energy: -57.030
flat angles C4'-P-C4' energy: -60.764
flat angles P-C4'-P energy: -34.209
tors. eta vs tors. theta energy: -85.771
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: 1
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -878.785918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.785918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.785918 (E_RNA)
where:
Base-Base interactions energy: -614.884
where: short stacking energy: -244.638
Base-Backbone interact. energy: 2.916
local terms energy: -266.817439
where:
bonds (distance) C4'-P energy: -55.696
bonds (distance) P-C4' energy: -55.100
flat angles C4'-P-C4' energy: -46.444
flat angles P-C4'-P energy: -43.468
tors. eta vs tors. theta energy: -66.110
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: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -860.955922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.955922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.955922 (E_RNA)
where:
Base-Base interactions energy: -585.061
where: short stacking energy: -241.499
Base-Backbone interact. energy: 0.280
local terms energy: -276.174872
where:
bonds (distance) C4'-P energy: -48.484
bonds (distance) P-C4' energy: -53.683
flat angles C4'-P-C4' energy: -59.070
flat angles P-C4'-P energy: -46.682
tors. eta vs tors. theta energy: -68.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -793.684074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.684074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.684074 (E_RNA)
where:
Base-Base interactions energy: -530.757
where: short stacking energy: -226.117
Base-Backbone interact. energy: -1.522
local terms energy: -261.404694
where:
bonds (distance) C4'-P energy: -48.175
bonds (distance) P-C4' energy: -57.553
flat angles C4'-P-C4' energy: -58.170
flat angles P-C4'-P energy: -34.455
tors. eta vs tors. theta energy: -63.052
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: 7
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -746.944617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.944617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.944617 (E_RNA)
where:
Base-Base interactions energy: -507.355
where: short stacking energy: -223.854
Base-Backbone interact. energy: -0.747
local terms energy: -238.841818
where:
bonds (distance) C4'-P energy: -37.544
bonds (distance) P-C4' energy: -52.166
flat angles C4'-P-C4' energy: -51.487
flat angles P-C4'-P energy: -37.402
tors. eta vs tors. theta energy: -60.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -692.332429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.332429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.332429 (E_RNA)
where:
Base-Base interactions energy: -464.707
where: short stacking energy: -192.552
Base-Backbone interact. energy: 2.741
local terms energy: -230.366726
where:
bonds (distance) C4'-P energy: -46.020
bonds (distance) P-C4' energy: -45.601
flat angles C4'-P-C4' energy: -47.449
flat angles P-C4'-P energy: -32.524
tors. eta vs tors. theta energy: -58.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -552.718729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.718729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.718729 (E_RNA)
where:
Base-Base interactions energy: -349.876
where: short stacking energy: -170.114
Base-Backbone interact. energy: 2.525
local terms energy: -205.367572
where:
bonds (distance) C4'-P energy: -48.334
bonds (distance) P-C4' energy: -47.926
flat angles C4'-P-C4' energy: -49.919
flat angles P-C4'-P energy: -29.129
tors. eta vs tors. theta energy: -30.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -319.378480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.378480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.378480 (E_RNA)
where:
Base-Base interactions energy: -155.846
where: short stacking energy: -83.831
Base-Backbone interact. energy: 4.219
local terms energy: -167.751630
where:
bonds (distance) C4'-P energy: -53.754
bonds (distance) P-C4' energy: -46.793
flat angles C4'-P-C4' energy: -34.886
flat angles P-C4'-P energy: -23.987
tors. eta vs tors. theta energy: -8.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -275.273876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.273876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.273876 (E_RNA)
where:
Base-Base interactions energy: -137.271
where: short stacking energy: -86.825
Base-Backbone interact. energy: -1.314
local terms energy: -136.688834
where:
bonds (distance) C4'-P energy: -32.032
bonds (distance) P-C4' energy: -53.835
flat angles C4'-P-C4' energy: -37.629
flat angles P-C4'-P energy: -16.717
tors. eta vs tors. theta energy: 3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -956.035156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.035156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.035156 (E_RNA)
where:
Base-Base interactions energy: -668.572
where: short stacking energy: -281.513
Base-Backbone interact. energy: -1.855
local terms energy: -285.608331
where:
bonds (distance) C4'-P energy: -51.896
bonds (distance) P-C4' energy: -61.888
flat angles C4'-P-C4' energy: -57.073
flat angles P-C4'-P energy: -34.885
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: 2, replica: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -922.121514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.121514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.121514 (E_RNA)
where:
Base-Base interactions energy: -650.679
where: short stacking energy: -269.301
Base-Backbone interact. energy: -3.086
local terms energy: -268.356957
where:
bonds (distance) C4'-P energy: -43.322
bonds (distance) P-C4' energy: -49.699
flat angles C4'-P-C4' energy: -65.517
flat angles P-C4'-P energy: -33.374
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: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -889.082299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.082299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.082299 (E_RNA)
where:
Base-Base interactions energy: -606.655
where: short stacking energy: -247.165
Base-Backbone interact. energy: -0.692
local terms energy: -281.735423
where:
bonds (distance) C4'-P energy: -55.451
bonds (distance) P-C4' energy: -57.228
flat angles C4'-P-C4' energy: -54.737
flat angles P-C4'-P energy: -44.142
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: 4, replica: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -848.936416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.936416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.936416 (E_RNA)
where:
Base-Base interactions energy: -578.698
where: short stacking energy: -229.741
Base-Backbone interact. energy: -2.660
local terms energy: -267.578318
where:
bonds (distance) C4'-P energy: -46.382
bonds (distance) P-C4' energy: -53.529
flat angles C4'-P-C4' energy: -61.201
flat angles P-C4'-P energy: -38.177
tors. eta vs tors. theta energy: -68.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -791.875593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.875593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.875593 (E_RNA)
where:
Base-Base interactions energy: -547.792
where: short stacking energy: -246.630
Base-Backbone interact. energy: 0.108
local terms energy: -244.191056
where:
bonds (distance) C4'-P energy: -41.470
bonds (distance) P-C4' energy: -46.253
flat angles C4'-P-C4' energy: -60.146
flat angles P-C4'-P energy: -32.176
tors. eta vs tors. theta energy: -64.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -794.858980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.858980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.858980 (E_RNA)
where:
Base-Base interactions energy: -538.963
where: short stacking energy: -220.919
Base-Backbone interact. energy: 0.345
local terms energy: -256.241437
where:
bonds (distance) C4'-P energy: -45.319
bonds (distance) P-C4' energy: -55.179
flat angles C4'-P-C4' energy: -45.875
flat angles P-C4'-P energy: -43.966
tors. eta vs tors. theta energy: -65.902
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: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -720.195653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.195653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.195653 (E_RNA)
where:
Base-Base interactions energy: -468.980
where: short stacking energy: -205.563
Base-Backbone interact. energy: -0.478
local terms energy: -250.738107
where:
bonds (distance) C4'-P energy: -54.647
bonds (distance) P-C4' energy: -44.908
flat angles C4'-P-C4' energy: -53.105
flat angles P-C4'-P energy: -35.898
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: 8, replica: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -530.161298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.161298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.161298 (E_RNA)
where:
Base-Base interactions energy: -315.907
where: short stacking energy: -148.665
Base-Backbone interact. energy: -1.262
local terms energy: -212.992622
where:
bonds (distance) C4'-P energy: -47.487
bonds (distance) P-C4' energy: -57.274
flat angles C4'-P-C4' energy: -42.811
flat angles P-C4'-P energy: -34.394
tors. eta vs tors. theta energy: -31.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -350.875166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.875166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.875166 (E_RNA)
where:
Base-Base interactions energy: -172.730
where: short stacking energy: -93.442
Base-Backbone interact. energy: -1.020
local terms energy: -177.125554
where:
bonds (distance) C4'-P energy: -49.704
bonds (distance) P-C4' energy: -53.982
flat angles C4'-P-C4' energy: -40.717
flat angles P-C4'-P energy: -28.874
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -247.193937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.193937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.193937 (E_RNA)
where:
Base-Base interactions energy: -78.900
where: short stacking energy: -61.126
Base-Backbone interact. energy: 2.036
local terms energy: -170.330345
where:
bonds (distance) C4'-P energy: -50.314
bonds (distance) P-C4' energy: -46.988
flat angles C4'-P-C4' energy: -43.724
flat angles P-C4'-P energy: -34.544
tors. eta vs tors. theta energy: 5.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -952.381069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.381069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.381069 (E_RNA)
where:
Base-Base interactions energy: -658.060
where: short stacking energy: -269.923
Base-Backbone interact. energy: -2.471
local terms energy: -291.849753
where:
bonds (distance) C4'-P energy: -54.861
bonds (distance) P-C4' energy: -51.868
flat angles C4'-P-C4' energy: -56.201
flat angles P-C4'-P energy: -46.387
tors. eta vs tors. theta energy: -82.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -908.311192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.311192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.311192 (E_RNA)
where:
Base-Base interactions energy: -648.054
where: short stacking energy: -267.595
Base-Backbone interact. energy: -1.440
local terms energy: -258.817397
where:
bonds (distance) C4'-P energy: -40.757
bonds (distance) P-C4' energy: -52.411
flat angles C4'-P-C4' energy: -54.686
flat angles P-C4'-P energy: -35.762
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: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -911.748419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.748419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.748419 (E_RNA)
where:
Base-Base interactions energy: -628.722
where: short stacking energy: -257.215
Base-Backbone interact. energy: -2.927
local terms energy: -280.098981
where:
bonds (distance) C4'-P energy: -55.288
bonds (distance) P-C4' energy: -48.143
flat angles C4'-P-C4' energy: -60.078
flat angles P-C4'-P energy: -37.666
tors. eta vs tors. theta energy: -78.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -845.912896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.912896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.912896 (E_RNA)
where:
Base-Base interactions energy: -609.743
where: short stacking energy: -235.602
Base-Backbone interact. energy: 0.200
local terms energy: -236.369819
where:
bonds (distance) C4'-P energy: -33.251
bonds (distance) P-C4' energy: -49.000
flat angles C4'-P-C4' energy: -53.224
flat angles P-C4'-P energy: -35.247
tors. eta vs tors. theta energy: -65.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -784.270965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.270965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.270965 (E_RNA)
where:
Base-Base interactions energy: -533.445
where: short stacking energy: -246.438
Base-Backbone interact. energy: 3.550
local terms energy: -254.375360
where:
bonds (distance) C4'-P energy: -43.771
bonds (distance) P-C4' energy: -50.667
flat angles C4'-P-C4' energy: -55.093
flat angles P-C4'-P energy: -35.547
tors. eta vs tors. theta energy: -69.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -757.779398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.779398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.779398 (E_RNA)
where:
Base-Base interactions energy: -513.393
where: short stacking energy: -228.968
Base-Backbone interact. energy: -0.931
local terms energy: -243.455001
where:
bonds (distance) C4'-P energy: -54.532
bonds (distance) P-C4' energy: -46.550
flat angles C4'-P-C4' energy: -50.190
flat angles P-C4'-P energy: -28.292
tors. eta vs tors. theta energy: -63.891
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: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -706.377011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.377011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.377011 (E_RNA)
where:
Base-Base interactions energy: -492.574
where: short stacking energy: -195.808
Base-Backbone interact. energy: -1.370
local terms energy: -212.433031
where:
bonds (distance) C4'-P energy: -37.970
bonds (distance) P-C4' energy: -44.928
flat angles C4'-P-C4' energy: -51.255
flat angles P-C4'-P energy: -24.689
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: 8, replica: 4
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -547.034457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.034457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.034457 (E_RNA)
where:
Base-Base interactions energy: -347.259
where: short stacking energy: -170.670
Base-Backbone interact. energy: -0.722
local terms energy: -199.052663
where:
bonds (distance) C4'-P energy: -41.130
bonds (distance) P-C4' energy: -47.595
flat angles C4'-P-C4' energy: -38.124
flat angles P-C4'-P energy: -32.248
tors. eta vs tors. theta energy: -39.956
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: 191
Temperature: 1.300000
Total energy: -354.133207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.133207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.133207 (E_RNA)
where:
Base-Base interactions energy: -178.627
where: short stacking energy: -94.014
Base-Backbone interact. energy: -0.767
local terms energy: -174.739259
where:
bonds (distance) C4'-P energy: -43.406
bonds (distance) P-C4' energy: -50.099
flat angles C4'-P-C4' energy: -42.244
flat angles P-C4'-P energy: -29.492
tors. eta vs tors. theta energy: -9.499
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: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -228.171378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.171378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.171378 (E_RNA)
where:
Base-Base interactions energy: -64.022
where: short stacking energy: -57.716
Base-Backbone interact. energy: -1.543
local terms energy: -162.606240
where:
bonds (distance) C4'-P energy: -41.353
bonds (distance) P-C4' energy: -48.057
flat angles C4'-P-C4' energy: -50.037
flat angles P-C4'-P energy: -26.571
tors. eta vs tors. theta energy: 3.411
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: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -960.495714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.495714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.495714 (E_RNA)
where:
Base-Base interactions energy: -679.203
where: short stacking energy: -281.245
Base-Backbone interact. energy: -1.545
local terms energy: -279.747914
where:
bonds (distance) C4'-P energy: -54.456
bonds (distance) P-C4' energy: -37.256
flat angles C4'-P-C4' energy: -62.452
flat angles P-C4'-P energy: -41.893
tors. eta vs tors. theta energy: -83.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -905.288096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.288096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.288096 (E_RNA)
where:
Base-Base interactions energy: -623.390
where: short stacking energy: -241.757
Base-Backbone interact. energy: -4.607
local terms energy: -277.290801
where:
bonds (distance) C4'-P energy: -54.570
bonds (distance) P-C4' energy: -50.060
flat angles C4'-P-C4' energy: -57.241
flat angles P-C4'-P energy: -44.369
tors. eta vs tors. theta energy: -71.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -908.318905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.318905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.318905 (E_RNA)
where:
Base-Base interactions energy: -633.750
where: short stacking energy: -248.731
Base-Backbone interact. energy: -1.054
local terms energy: -273.514935
where:
bonds (distance) C4'-P energy: -42.834
bonds (distance) P-C4' energy: -56.983
flat angles C4'-P-C4' energy: -56.637
flat angles P-C4'-P energy: -42.542
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: 2
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -867.616300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.616300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.616300 (E_RNA)
where:
Base-Base interactions energy: -614.651
where: short stacking energy: -242.590
Base-Backbone interact. energy: -1.662
local terms energy: -251.302761
where:
bonds (distance) C4'-P energy: -48.674
bonds (distance) P-C4' energy: -46.800
flat angles C4'-P-C4' energy: -45.696
flat angles P-C4'-P energy: -43.425
tors. eta vs tors. theta energy: -66.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -792.549024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.549024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.549024 (E_RNA)
where:
Base-Base interactions energy: -551.829
where: short stacking energy: -233.733
Base-Backbone interact. energy: -2.465
local terms energy: -238.254772
where:
bonds (distance) C4'-P energy: -46.066
bonds (distance) P-C4' energy: -46.574
flat angles C4'-P-C4' energy: -50.501
flat angles P-C4'-P energy: -39.944
tors. eta vs tors. theta energy: -55.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -757.465356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.465356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.465356 (E_RNA)
where:
Base-Base interactions energy: -501.895
where: short stacking energy: -234.392
Base-Backbone interact. energy: -0.720
local terms energy: -254.850059
where:
bonds (distance) C4'-P energy: -46.655
bonds (distance) P-C4' energy: -56.494
flat angles C4'-P-C4' energy: -50.385
flat angles P-C4'-P energy: -39.536
tors. eta vs tors. theta energy: -61.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -691.990009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.990009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.990009 (E_RNA)
where:
Base-Base interactions energy: -465.714
where: short stacking energy: -198.413
Base-Backbone interact. energy: -1.352
local terms energy: -224.924174
where:
bonds (distance) C4'-P energy: -39.033
bonds (distance) P-C4' energy: -43.872
flat angles C4'-P-C4' energy: -49.553
flat angles P-C4'-P energy: -33.987
tors. eta vs tors. theta energy: -58.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -520.936017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.936017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.936017 (E_RNA)
where:
Base-Base interactions energy: -316.324
where: short stacking energy: -161.922
Base-Backbone interact. energy: -2.042
local terms energy: -202.570547
where:
bonds (distance) C4'-P energy: -47.073
bonds (distance) P-C4' energy: -47.447
flat angles C4'-P-C4' energy: -40.232
flat angles P-C4'-P energy: -30.680
tors. eta vs tors. theta energy: -37.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -351.796117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.796117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.796117 (E_RNA)
where:
Base-Base interactions energy: -166.738
where: short stacking energy: -84.726
Base-Backbone interact. energy: 0.727
local terms energy: -185.785257
where:
bonds (distance) C4'-P energy: -59.695
bonds (distance) P-C4' energy: -43.080
flat angles C4'-P-C4' energy: -46.944
flat angles P-C4'-P energy: -25.859
tors. eta vs tors. theta energy: -10.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -216.783064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.783064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.783064 (E_RNA)
where:
Base-Base interactions energy: -82.802
where: short stacking energy: -80.712
Base-Backbone interact. energy: -1.017
local terms energy: -132.963754
where:
bonds (distance) C4'-P energy: -47.851
bonds (distance) P-C4' energy: -38.710
flat angles C4'-P-C4' energy: -28.199
flat angles P-C4'-P energy: -20.886
tors. eta vs tors. theta energy: 2.682
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: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -963.663479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.663479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.663479 (E_RNA)
where:
Base-Base interactions energy: -683.014
where: short stacking energy: -273.859
Base-Backbone interact. energy: -1.760
local terms energy: -278.888990
where:
bonds (distance) C4'-P energy: -52.190
bonds (distance) P-C4' energy: -44.941
flat angles C4'-P-C4' energy: -59.941
flat angles P-C4'-P energy: -41.330
tors. eta vs tors. theta energy: -80.487
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: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -917.362392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.362392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.362392 (E_RNA)
where:
Base-Base interactions energy: -645.827
where: short stacking energy: -274.466
Base-Backbone interact. energy: -1.961
local terms energy: -269.574032
where:
bonds (distance) C4'-P energy: -49.898
bonds (distance) P-C4' energy: -45.376
flat angles C4'-P-C4' energy: -54.147
flat angles P-C4'-P energy: -40.436
tors. eta vs tors. theta energy: -79.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -897.925569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.925569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.925569 (E_RNA)
where:
Base-Base interactions energy: -622.140
where: short stacking energy: -254.740
Base-Backbone interact. energy: -0.446
local terms energy: -275.339613
where:
bonds (distance) C4'-P energy: -48.200
bonds (distance) P-C4' energy: -54.621
flat angles C4'-P-C4' energy: -54.847
flat angles P-C4'-P energy: -42.785
tors. eta vs tors. theta energy: -74.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -842.271693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.271693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.271693 (E_RNA)
where:
Base-Base interactions energy: -569.829
where: short stacking energy: -234.064
Base-Backbone interact. energy: -0.289
local terms energy: -272.154086
where:
bonds (distance) C4'-P energy: -55.434
bonds (distance) P-C4' energy: -53.597
flat angles C4'-P-C4' energy: -57.572
flat angles P-C4'-P energy: -37.570
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: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -781.200035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.200035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.200035 (E_RNA)
where:
Base-Base interactions energy: -541.196
where: short stacking energy: -205.346
Base-Backbone interact. energy: 0.635
local terms energy: -240.639244
where:
bonds (distance) C4'-P energy: -40.832
bonds (distance) P-C4' energy: -57.590
flat angles C4'-P-C4' energy: -49.630
flat angles P-C4'-P energy: -39.451
tors. eta vs tors. theta energy: -53.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -733.567841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.567841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.567841 (E_RNA)
where:
Base-Base interactions energy: -505.562
where: short stacking energy: -218.167
Base-Backbone interact. energy: -0.399
local terms energy: -227.606325
where:
bonds (distance) C4'-P energy: -46.355
bonds (distance) P-C4' energy: -40.503
flat angles C4'-P-C4' energy: -57.427
flat angles P-C4'-P energy: -27.036
tors. eta vs tors. theta energy: -56.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -692.555643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.555643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.555643 (E_RNA)
where:
Base-Base interactions energy: -471.404
where: short stacking energy: -194.464
Base-Backbone interact. energy: -1.197
local terms energy: -219.955166
where:
bonds (distance) C4'-P energy: -38.615
bonds (distance) P-C4' energy: -36.118
flat angles C4'-P-C4' energy: -47.687
flat angles P-C4'-P energy: -36.504
tors. eta vs tors. theta energy: -61.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -504.965222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.965222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.965222 (E_RNA)
where:
Base-Base interactions energy: -294.583
where: short stacking energy: -155.167
Base-Backbone interact. energy: 0.109
local terms energy: -210.490939
where:
bonds (distance) C4'-P energy: -50.075
bonds (distance) P-C4' energy: -46.862
flat angles C4'-P-C4' energy: -43.046
flat angles P-C4'-P energy: -33.934
tors. eta vs tors. theta energy: -36.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -367.444342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.444342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.444342 (E_RNA)
where:
Base-Base interactions energy: -199.622
where: short stacking energy: -99.569
Base-Backbone interact. energy: 1.441
local terms energy: -169.263968
where:
bonds (distance) C4'-P energy: -43.186
bonds (distance) P-C4' energy: -49.552
flat angles C4'-P-C4' energy: -38.922
flat angles P-C4'-P energy: -22.757
tors. eta vs tors. theta energy: -14.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -228.534711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.534711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.534711 (E_RNA)
where:
Base-Base interactions energy: -82.345
where: short stacking energy: -61.822
Base-Backbone interact. energy: -0.403
local terms energy: -145.786380
where:
bonds (distance) C4'-P energy: -38.690
bonds (distance) P-C4' energy: -47.913
flat angles C4'-P-C4' energy: -48.406
flat angles P-C4'-P energy: -26.497
tors. eta vs tors. theta energy: 15.720
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: 194
Temperature: 0.900000
Total energy: -973.392700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.392700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.392700 (E_RNA)
where:
Base-Base interactions energy: -678.279
where: short stacking energy: -292.165
Base-Backbone interact. energy: -3.584
local terms energy: -291.529712
where:
bonds (distance) C4'-P energy: -52.505
bonds (distance) P-C4' energy: -55.520
flat angles C4'-P-C4' energy: -59.454
flat angles P-C4'-P energy: -37.543
tors. eta vs tors. theta energy: -86.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -922.623528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.623528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.623528 (E_RNA)
where:
Base-Base interactions energy: -621.478
where: short stacking energy: -275.348
Base-Backbone interact. energy: 0.093
local terms energy: -301.239166
where:
bonds (distance) C4'-P energy: -49.743
bonds (distance) P-C4' energy: -58.826
flat angles C4'-P-C4' energy: -65.417
flat angles P-C4'-P energy: -45.636
tors. eta vs tors. theta energy: -81.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -912.872369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.872369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.872369 (E_RNA)
where:
Base-Base interactions energy: -634.579
where: short stacking energy: -262.680
Base-Backbone interact. energy: 1.268
local terms energy: -279.561364
where:
bonds (distance) C4'-P energy: -46.783
bonds (distance) P-C4' energy: -53.351
flat angles C4'-P-C4' energy: -58.830
flat angles P-C4'-P energy: -42.639
tors. eta vs tors. theta energy: -77.957
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: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -846.043376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.043376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.043376 (E_RNA)
where:
Base-Base interactions energy: -603.686
where: short stacking energy: -241.173
Base-Backbone interact. energy: 5.534
local terms energy: -247.891860
where:
bonds (distance) C4'-P energy: -44.223
bonds (distance) P-C4' energy: -55.861
flat angles C4'-P-C4' energy: -45.564
flat angles P-C4'-P energy: -37.551
tors. eta vs tors. theta energy: -64.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -797.276311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.276311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.276311 (E_RNA)
where:
Base-Base interactions energy: -538.252
where: short stacking energy: -220.282
Base-Backbone interact. energy: -2.633
local terms energy: -256.390905
where:
bonds (distance) C4'-P energy: -49.122
bonds (distance) P-C4' energy: -52.123
flat angles C4'-P-C4' energy: -53.591
flat angles P-C4'-P energy: -39.610
tors. eta vs tors. theta energy: -61.945
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: 10
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -735.178969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.178969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.178969 (E_RNA)
where:
Base-Base interactions energy: -515.070
where: short stacking energy: -221.716
Base-Backbone interact. energy: -0.885
local terms energy: -219.223696
where:
bonds (distance) C4'-P energy: -34.511
bonds (distance) P-C4' energy: -46.198
flat angles C4'-P-C4' energy: -50.379
flat angles P-C4'-P energy: -30.485
tors. eta vs tors. theta energy: -57.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -719.522118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.522118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.522118 (E_RNA)
where:
Base-Base interactions energy: -491.648
where: short stacking energy: -216.195
Base-Backbone interact. energy: 0.173
local terms energy: -228.047103
where:
bonds (distance) C4'-P energy: -44.398
bonds (distance) P-C4' energy: -37.437
flat angles C4'-P-C4' energy: -54.738
flat angles P-C4'-P energy: -31.266
tors. eta vs tors. theta energy: -60.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -556.932840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.932840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.932840 (E_RNA)
where:
Base-Base interactions energy: -352.910
where: short stacking energy: -157.447
Base-Backbone interact. energy: -1.122
local terms energy: -202.899963
where:
bonds (distance) C4'-P energy: -46.894
bonds (distance) P-C4' energy: -45.746
flat angles C4'-P-C4' energy: -45.288
flat angles P-C4'-P energy: -29.927
tors. eta vs tors. theta energy: -35.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -334.084106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.084106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.084106 (E_RNA)
where:
Base-Base interactions energy: -164.077
where: short stacking energy: -115.013
Base-Backbone interact. energy: 1.669
local terms energy: -171.676034
where:
bonds (distance) C4'-P energy: -48.914
bonds (distance) P-C4' energy: -40.782
flat angles C4'-P-C4' energy: -37.494
flat angles P-C4'-P energy: -23.675
tors. eta vs tors. theta energy: -20.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -228.947020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.947020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.947020 (E_RNA)
where:
Base-Base interactions energy: -100.711
where: short stacking energy: -68.843
Base-Backbone interact. energy: -1.195
local terms energy: -127.041494
where:
bonds (distance) C4'-P energy: -33.207
bonds (distance) P-C4' energy: -44.343
flat angles C4'-P-C4' energy: -29.968
flat angles P-C4'-P energy: -26.143
tors. eta vs tors. theta energy: 6.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -951.289362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.289362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.289362 (E_RNA)
where:
Base-Base interactions energy: -662.170
where: short stacking energy: -276.286
Base-Backbone interact. energy: -1.968
local terms energy: -287.151691
where:
bonds (distance) C4'-P energy: -50.202
bonds (distance) P-C4' energy: -46.421
flat angles C4'-P-C4' energy: -70.695
flat angles P-C4'-P energy: -43.403
tors. eta vs tors. theta energy: -76.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -924.028129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.028129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.028129 (E_RNA)
where:
Base-Base interactions energy: -629.398
where: short stacking energy: -275.037
Base-Backbone interact. energy: -1.585
local terms energy: -293.044978
where:
bonds (distance) C4'-P energy: -56.782
bonds (distance) P-C4' energy: -59.905
flat angles C4'-P-C4' energy: -56.811
flat angles P-C4'-P energy: -38.857
tors. eta vs tors. theta energy: -80.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -886.134378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.134378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.134378 (E_RNA)
where:
Base-Base interactions energy: -617.089
where: short stacking energy: -244.022
Base-Backbone interact. energy: 2.181
local terms energy: -271.226055
where:
bonds (distance) C4'-P energy: -49.414
bonds (distance) P-C4' energy: -50.666
flat angles C4'-P-C4' energy: -59.914
flat angles P-C4'-P energy: -39.212
tors. eta vs tors. theta energy: -72.021
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: 195
Temperature: 1.050000
Total energy: -833.026636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.026636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.026636 (E_RNA)
where:
Base-Base interactions energy: -576.962
where: short stacking energy: -244.069
Base-Backbone interact. energy: 1.628
local terms energy: -257.692893
where:
bonds (distance) C4'-P energy: -50.685
bonds (distance) P-C4' energy: -54.778
flat angles C4'-P-C4' energy: -47.348
flat angles P-C4'-P energy: -37.142
tors. eta vs tors. theta energy: -67.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -792.425233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.425233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.425233 (E_RNA)
where:
Base-Base interactions energy: -546.458
where: short stacking energy: -227.366
Base-Backbone interact. energy: 0.593
local terms energy: -246.560657
where:
bonds (distance) C4'-P energy: -54.582
bonds (distance) P-C4' energy: -41.009
flat angles C4'-P-C4' energy: -52.275
flat angles P-C4'-P energy: -28.941
tors. eta vs tors. theta energy: -69.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -732.112403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.112403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.112403 (E_RNA)
where:
Base-Base interactions energy: -482.694
where: short stacking energy: -220.243
Base-Backbone interact. energy: -0.739
local terms energy: -248.679550
where:
bonds (distance) C4'-P energy: -49.163
bonds (distance) P-C4' energy: -46.844
flat angles C4'-P-C4' energy: -53.886
flat angles P-C4'-P energy: -39.346
tors. eta vs tors. theta energy: -59.441
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: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -743.870185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.870185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.870185 (E_RNA)
where:
Base-Base interactions energy: -507.464
where: short stacking energy: -235.086
Base-Backbone interact. energy: 0.221
local terms energy: -236.627397
where:
bonds (distance) C4'-P energy: -51.043
bonds (distance) P-C4' energy: -40.789
flat angles C4'-P-C4' energy: -53.602
flat angles P-C4'-P energy: -26.907
tors. eta vs tors. theta energy: -64.287
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: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -562.692729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.692729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.692729 (E_RNA)
where:
Base-Base interactions energy: -348.443
where: short stacking energy: -179.061
Base-Backbone interact. energy: -0.934
local terms energy: -213.315284
where:
bonds (distance) C4'-P energy: -44.972
bonds (distance) P-C4' energy: -40.869
flat angles C4'-P-C4' energy: -53.982
flat angles P-C4'-P energy: -34.267
tors. eta vs tors. theta energy: -39.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -324.383746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.383746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.383746 (E_RNA)
where:
Base-Base interactions energy: -158.750
where: short stacking energy: -79.936
Base-Backbone interact. energy: -0.756
local terms energy: -164.877835
where:
bonds (distance) C4'-P energy: -49.685
bonds (distance) P-C4' energy: -54.916
flat angles C4'-P-C4' energy: -43.619
flat angles P-C4'-P energy: -19.997
tors. eta vs tors. theta energy: 3.339
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: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -219.126450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.126450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.126450 (E_RNA)
where:
Base-Base interactions energy: -74.941
where: short stacking energy: -66.113
Base-Backbone interact. energy: 1.777
local terms energy: -145.962670
where:
bonds (distance) C4'-P energy: -40.635
bonds (distance) P-C4' energy: -40.176
flat angles C4'-P-C4' energy: -45.537
flat angles P-C4'-P energy: -23.257
tors. eta vs tors. theta energy: 3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -942.693232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.693232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.693232 (E_RNA)
where:
Base-Base interactions energy: -643.844
where: short stacking energy: -265.270
Base-Backbone interact. energy: -2.416
local terms energy: -296.433749
where:
bonds (distance) C4'-P energy: -58.669
bonds (distance) P-C4' energy: -59.590
flat angles C4'-P-C4' energy: -59.242
flat angles P-C4'-P energy: -41.709
tors. eta vs tors. theta energy: -77.225
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: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -926.151052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.151052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.151052 (E_RNA)
where:
Base-Base interactions energy: -648.289
where: short stacking energy: -261.915
Base-Backbone interact. energy: 1.092
local terms energy: -278.954209
where:
bonds (distance) C4'-P energy: -47.917
bonds (distance) P-C4' energy: -44.753
flat angles C4'-P-C4' energy: -57.792
flat angles P-C4'-P energy: -44.740
tors. eta vs tors. theta energy: -83.752
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: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -880.230470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.230470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.230470 (E_RNA)
where:
Base-Base interactions energy: -606.288
where: short stacking energy: -230.907
Base-Backbone interact. energy: -0.612
local terms energy: -273.330046
where:
bonds (distance) C4'-P energy: -40.985
bonds (distance) P-C4' energy: -65.678
flat angles C4'-P-C4' energy: -57.640
flat angles P-C4'-P energy: -34.577
tors. eta vs tors. theta energy: -74.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -825.118530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.118530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.118530 (E_RNA)
where:
Base-Base interactions energy: -571.436
where: short stacking energy: -234.308
Base-Backbone interact. energy: -0.540
local terms energy: -253.142401
where:
bonds (distance) C4'-P energy: -45.897
bonds (distance) P-C4' energy: -46.256
flat angles C4'-P-C4' energy: -54.574
flat angles P-C4'-P energy: -38.693
tors. eta vs tors. theta energy: -67.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -739.822319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.822319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.822319 (E_RNA)
where:
Base-Base interactions energy: -489.528
where: short stacking energy: -217.573
Base-Backbone interact. energy: -1.391
local terms energy: -248.902918
where:
bonds (distance) C4'-P energy: -46.020
bonds (distance) P-C4' energy: -49.678
flat angles C4'-P-C4' energy: -54.892
flat angles P-C4'-P energy: -32.129
tors. eta vs tors. theta energy: -66.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -779.348598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.348598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.348598 (E_RNA)
where:
Base-Base interactions energy: -546.157
where: short stacking energy: -231.377
Base-Backbone interact. energy: 0.231
local terms energy: -233.422567
where:
bonds (distance) C4'-P energy: -40.073
bonds (distance) P-C4' energy: -49.349
flat angles C4'-P-C4' energy: -52.352
flat angles P-C4'-P energy: -26.267
tors. eta vs tors. theta energy: -65.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -773.555887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.555887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.555887 (E_RNA)
where:
Base-Base interactions energy: -509.732
where: short stacking energy: -226.798
Base-Backbone interact. energy: -1.797
local terms energy: -262.027101
where:
bonds (distance) C4'-P energy: -45.380
bonds (distance) P-C4' energy: -46.820
flat angles C4'-P-C4' energy: -57.689
flat angles P-C4'-P energy: -39.391
tors. eta vs tors. theta energy: -72.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -526.150952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.150952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.150952 (E_RNA)
where:
Base-Base interactions energy: -314.445
where: short stacking energy: -146.032
Base-Backbone interact. energy: -0.306
local terms energy: -211.399871
where:
bonds (distance) C4'-P energy: -39.615
bonds (distance) P-C4' energy: -46.286
flat angles C4'-P-C4' energy: -59.861
flat angles P-C4'-P energy: -28.640
tors. eta vs tors. theta energy: -36.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -346.521560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.521560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.521560 (E_RNA)
where:
Base-Base interactions energy: -167.699
where: short stacking energy: -96.014
Base-Backbone interact. energy: 0.383
local terms energy: -179.205403
where:
bonds (distance) C4'-P energy: -50.234
bonds (distance) P-C4' energy: -49.411
flat angles C4'-P-C4' energy: -42.908
flat angles P-C4'-P energy: -23.102
tors. eta vs tors. theta energy: -13.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -213.846213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.846213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.846213 (E_RNA)
where:
Base-Base interactions energy: -72.348
where: short stacking energy: -60.236
Base-Backbone interact. energy: 0.089
local terms energy: -141.586753
where:
bonds (distance) C4'-P energy: -43.674
bonds (distance) P-C4' energy: -53.927
flat angles C4'-P-C4' energy: -45.120
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: 11.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -934.053914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.053914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.053914 (E_RNA)
where:
Base-Base interactions energy: -657.631
where: short stacking energy: -263.745
Base-Backbone interact. energy: -0.568
local terms energy: -275.855699
where:
bonds (distance) C4'-P energy: -50.452
bonds (distance) P-C4' energy: -56.269
flat angles C4'-P-C4' energy: -53.046
flat angles P-C4'-P energy: -39.244
tors. eta vs tors. theta energy: -76.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -914.866946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.866946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.866946 (E_RNA)
where:
Base-Base interactions energy: -641.781
where: short stacking energy: -267.804
Base-Backbone interact. energy: 5.564
local terms energy: -278.649880
where:
bonds (distance) C4'-P energy: -45.849
bonds (distance) P-C4' energy: -43.506
flat angles C4'-P-C4' energy: -60.611
flat angles P-C4'-P energy: -44.573
tors. eta vs tors. theta energy: -84.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -892.786936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.786936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.786936 (E_RNA)
where:
Base-Base interactions energy: -620.944
where: short stacking energy: -259.936
Base-Backbone interact. energy: -1.917
local terms energy: -269.926630
where:
bonds (distance) C4'-P energy: -52.530
bonds (distance) P-C4' energy: -48.211
flat angles C4'-P-C4' energy: -60.044
flat angles P-C4'-P energy: -38.612
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: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -820.327798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.327798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.327798 (E_RNA)
where:
Base-Base interactions energy: -563.799
where: short stacking energy: -235.986
Base-Backbone interact. energy: -3.157
local terms energy: -253.372128
where:
bonds (distance) C4'-P energy: -38.834
bonds (distance) P-C4' energy: -53.404
flat angles C4'-P-C4' energy: -56.263
flat angles P-C4'-P energy: -33.641
tors. eta vs tors. theta energy: -71.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -756.701393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.701393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.701393 (E_RNA)
where:
Base-Base interactions energy: -517.437
where: short stacking energy: -229.101
Base-Backbone interact. energy: 0.247
local terms energy: -239.511587
where:
bonds (distance) C4'-P energy: -43.977
bonds (distance) P-C4' energy: -51.135
flat angles C4'-P-C4' energy: -48.567
flat angles P-C4'-P energy: -34.679
tors. eta vs tors. theta energy: -61.153
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: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -810.505430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.505430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.505430 (E_RNA)
where:
Base-Base interactions energy: -566.107
where: short stacking energy: -249.708
Base-Backbone interact. energy: 0.921
local terms energy: -245.319705
where:
bonds (distance) C4'-P energy: -49.969
bonds (distance) P-C4' energy: -37.637
flat angles C4'-P-C4' energy: -51.226
flat angles P-C4'-P energy: -32.413
tors. eta vs tors. theta energy: -74.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -769.765131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.765131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.765131 (E_RNA)
where:
Base-Base interactions energy: -537.350
where: short stacking energy: -220.430
Base-Backbone interact. energy: -1.923
local terms energy: -230.492444
where:
bonds (distance) C4'-P energy: -43.683
bonds (distance) P-C4' energy: -41.762
flat angles C4'-P-C4' energy: -48.830
flat angles P-C4'-P energy: -32.816
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: 8, replica: 4
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -525.392939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.392939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.392939 (E_RNA)
where:
Base-Base interactions energy: -318.158
where: short stacking energy: -142.368
Base-Backbone interact. energy: -0.708
local terms energy: -206.526813
where:
bonds (distance) C4'-P energy: -51.291
bonds (distance) P-C4' energy: -43.910
flat angles C4'-P-C4' energy: -51.858
flat angles P-C4'-P energy: -31.311
tors. eta vs tors. theta energy: -28.157
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: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -309.622199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.622199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.622199 (E_RNA)
where:
Base-Base interactions energy: -152.228
where: short stacking energy: -96.144
Base-Backbone interact. energy: 0.275
local terms energy: -157.669058
where:
bonds (distance) C4'-P energy: -44.534
bonds (distance) P-C4' energy: -38.667
flat angles C4'-P-C4' energy: -35.026
flat angles P-C4'-P energy: -30.655
tors. eta vs tors. theta energy: -8.786
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: 8
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -248.444456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.444456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.444456 (E_RNA)
where:
Base-Base interactions energy: -92.955
where: short stacking energy: -72.360
Base-Backbone interact. energy: -0.647
local terms energy: -154.842588
where:
bonds (distance) C4'-P energy: -36.262
bonds (distance) P-C4' energy: -45.835
flat angles C4'-P-C4' energy: -47.838
flat angles P-C4'-P energy: -24.919
tors. eta vs tors. theta energy: 0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -935.169531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.169531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.169531 (E_RNA)
where:
Base-Base interactions energy: -659.525
where: short stacking energy: -265.305
Base-Backbone interact. energy: 1.310
local terms energy: -276.954503
where:
bonds (distance) C4'-P energy: -49.296
bonds (distance) P-C4' energy: -48.748
flat angles C4'-P-C4' energy: -51.453
flat angles P-C4'-P energy: -45.580
tors. eta vs tors. theta energy: -81.878
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: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -917.145352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.145352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.145352 (E_RNA)
where:
Base-Base interactions energy: -638.918
where: short stacking energy: -258.925
Base-Backbone interact. energy: -1.247
local terms energy: -276.979902
where:
bonds (distance) C4'-P energy: -47.149
bonds (distance) P-C4' energy: -54.107
flat angles C4'-P-C4' energy: -61.489
flat angles P-C4'-P energy: -42.452
tors. eta vs tors. theta energy: -71.783
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: 198
Temperature: 1.000000
Total energy: -877.957576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.957576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.957576 (E_RNA)
where:
Base-Base interactions energy: -623.519
where: short stacking energy: -251.340
Base-Backbone interact. energy: 0.101
local terms energy: -254.539403
where:
bonds (distance) C4'-P energy: -48.145
bonds (distance) P-C4' energy: -49.923
flat angles C4'-P-C4' energy: -54.141
flat angles P-C4'-P energy: -31.604
tors. eta vs tors. theta energy: -70.725
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: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -854.635687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.635687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.635687 (E_RNA)
where:
Base-Base interactions energy: -575.774
where: short stacking energy: -238.280
Base-Backbone interact. energy: -0.886
local terms energy: -277.975508
where:
bonds (distance) C4'-P energy: -56.756
bonds (distance) P-C4' energy: -55.672
flat angles C4'-P-C4' energy: -56.827
flat angles P-C4'-P energy: -33.250
tors. eta vs tors. theta energy: -75.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -836.591206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.591206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.591206 (E_RNA)
where:
Base-Base interactions energy: -567.532
where: short stacking energy: -246.295
Base-Backbone interact. energy: -3.067
local terms energy: -265.991953
where:
bonds (distance) C4'-P energy: -43.065
bonds (distance) P-C4' energy: -51.240
flat angles C4'-P-C4' energy: -60.745
flat angles P-C4'-P energy: -38.681
tors. eta vs tors. theta energy: -72.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -735.521285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.521285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.521285 (E_RNA)
where:
Base-Base interactions energy: -509.568
where: short stacking energy: -215.568
Base-Backbone interact. energy: -1.336
local terms energy: -224.617743
where:
bonds (distance) C4'-P energy: -46.131
bonds (distance) P-C4' energy: -39.121
flat angles C4'-P-C4' energy: -47.597
flat angles P-C4'-P energy: -37.086
tors. eta vs tors. theta energy: -54.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -736.931086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.931086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.931086 (E_RNA)
where:
Base-Base interactions energy: -511.697
where: short stacking energy: -204.218
Base-Backbone interact. energy: 6.030
local terms energy: -231.264256
where:
bonds (distance) C4'-P energy: -42.847
bonds (distance) P-C4' energy: -50.791
flat angles C4'-P-C4' energy: -50.342
flat angles P-C4'-P energy: -29.562
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: 8, replica: 4
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -520.246160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.246160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.246160 (E_RNA)
where:
Base-Base interactions energy: -337.654
where: short stacking energy: -156.695
Base-Backbone interact. energy: 0.059
local terms energy: -182.651342
where:
bonds (distance) C4'-P energy: -45.896
bonds (distance) P-C4' energy: -45.623
flat angles C4'-P-C4' energy: -43.883
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -34.337
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: 198
Temperature: 1.300000
Total energy: -320.282839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.282839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.282839 (E_RNA)
where:
Base-Base interactions energy: -157.809
where: short stacking energy: -92.865
Base-Backbone interact. energy: -2.130
local terms energy: -160.343159
where:
bonds (distance) C4'-P energy: -44.758
bonds (distance) P-C4' energy: -47.829
flat angles C4'-P-C4' energy: -36.612
flat angles P-C4'-P energy: -32.518
tors. eta vs tors. theta energy: 1.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -239.318683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.318683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.318683 (E_RNA)
where:
Base-Base interactions energy: -91.939
where: short stacking energy: -80.755
Base-Backbone interact. energy: -0.584
local terms energy: -146.795841
where:
bonds (distance) C4'-P energy: -33.777
bonds (distance) P-C4' energy: -49.548
flat angles C4'-P-C4' energy: -46.010
flat angles P-C4'-P energy: -25.015
tors. eta vs tors. theta energy: 7.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -942.680222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.680222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.680222 (E_RNA)
where:
Base-Base interactions energy: -653.037
where: short stacking energy: -265.568
Base-Backbone interact. energy: 3.366
local terms energy: -293.008991
where:
bonds (distance) C4'-P energy: -57.521
bonds (distance) P-C4' energy: -51.648
flat angles C4'-P-C4' energy: -60.817
flat angles P-C4'-P energy: -40.150
tors. eta vs tors. theta energy: -82.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -920.306001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.306001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.306001 (E_RNA)
where:
Base-Base interactions energy: -642.592
where: short stacking energy: -266.892
Base-Backbone interact. energy: -0.309
local terms energy: -277.405519
where:
bonds (distance) C4'-P energy: -45.324
bonds (distance) P-C4' energy: -51.215
flat angles C4'-P-C4' energy: -61.414
flat angles P-C4'-P energy: -41.703
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: 3, replica: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -880.194669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.194669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.194669 (E_RNA)
where:
Base-Base interactions energy: -607.417
where: short stacking energy: -250.160
Base-Backbone interact. energy: -2.109
local terms energy: -270.668994
where:
bonds (distance) C4'-P energy: -55.642
bonds (distance) P-C4' energy: -56.008
flat angles C4'-P-C4' energy: -54.647
flat angles P-C4'-P energy: -31.899
tors. eta vs tors. theta energy: -72.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -845.094866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.094866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.094866 (E_RNA)
where:
Base-Base interactions energy: -570.482
where: short stacking energy: -230.168
Base-Backbone interact. energy: 0.351
local terms energy: -274.963524
where:
bonds (distance) C4'-P energy: -42.468
bonds (distance) P-C4' energy: -58.162
flat angles C4'-P-C4' energy: -63.165
flat angles P-C4'-P energy: -42.301
tors. eta vs tors. theta energy: -68.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -817.630702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.630702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.630702 (E_RNA)
where:
Base-Base interactions energy: -556.715
where: short stacking energy: -236.715
Base-Backbone interact. energy: -1.098
local terms energy: -259.816982
where:
bonds (distance) C4'-P energy: -50.089
bonds (distance) P-C4' energy: -39.364
flat angles C4'-P-C4' energy: -54.141
flat angles P-C4'-P energy: -43.544
tors. eta vs tors. theta energy: -72.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -734.494635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.494635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.494635 (E_RNA)
where:
Base-Base interactions energy: -493.785
where: short stacking energy: -210.890
Base-Backbone interact. energy: -1.681
local terms energy: -239.029301
where:
bonds (distance) C4'-P energy: -46.833
bonds (distance) P-C4' energy: -48.762
flat angles C4'-P-C4' energy: -55.978
flat angles P-C4'-P energy: -31.714
tors. eta vs tors. theta energy: -55.742
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: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -684.029372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.029372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.029372 (E_RNA)
where:
Base-Base interactions energy: -478.309
where: short stacking energy: -213.194
Base-Backbone interact. energy: 0.848
local terms energy: -206.568623
where:
bonds (distance) C4'-P energy: -32.575
bonds (distance) P-C4' energy: -37.043
flat angles C4'-P-C4' energy: -56.982
flat angles P-C4'-P energy: -24.304
tors. eta vs tors. theta energy: -55.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -529.188489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.188489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.188489 (E_RNA)
where:
Base-Base interactions energy: -328.268
where: short stacking energy: -164.194
Base-Backbone interact. energy: -0.841
local terms energy: -200.079451
where:
bonds (distance) C4'-P energy: -36.402
bonds (distance) P-C4' energy: -46.481
flat angles C4'-P-C4' energy: -47.226
flat angles P-C4'-P energy: -33.606
tors. eta vs tors. theta energy: -36.365
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: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -342.751493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.751493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.751493 (E_RNA)
where:
Base-Base interactions energy: -168.512
where: short stacking energy: -85.154
Base-Backbone interact. energy: -1.502
local terms energy: -172.737830
where:
bonds (distance) C4'-P energy: -44.264
bonds (distance) P-C4' energy: -47.751
flat angles C4'-P-C4' energy: -44.204
flat angles P-C4'-P energy: -21.902
tors. eta vs tors. theta energy: -14.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -250.733534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.733534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.733534 (E_RNA)
where:
Base-Base interactions energy: -92.333
where: short stacking energy: -79.346
Base-Backbone interact. energy: -1.573
local terms energy: -156.827554
where:
bonds (distance) C4'-P energy: -36.888
bonds (distance) P-C4' energy: -45.471
flat angles C4'-P-C4' energy: -38.335
flat angles P-C4'-P energy: -28.888
tors. eta vs tors. theta energy: -7.246
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: 3
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -932.194364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.194364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.194364 (E_RNA)
where:
Base-Base interactions energy: -637.330
where: short stacking energy: -264.877
Base-Backbone interact. energy: -0.912
local terms energy: -293.952703
where:
bonds (distance) C4'-P energy: -50.294
bonds (distance) P-C4' energy: -54.103
flat angles C4'-P-C4' energy: -60.648
flat angles P-C4'-P energy: -45.703
tors. eta vs tors. theta energy: -83.204
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: 2, replica: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -921.958638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.958638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.958638 (E_RNA)
where:
Base-Base interactions energy: -630.933
where: short stacking energy: -262.402
Base-Backbone interact. energy: 0.681
local terms energy: -291.706119
where:
bonds (distance) C4'-P energy: -56.091
bonds (distance) P-C4' energy: -53.483
flat angles C4'-P-C4' energy: -61.973
flat angles P-C4'-P energy: -41.211
tors. eta vs tors. theta energy: -78.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -875.300597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.300597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.300597 (E_RNA)
where:
Base-Base interactions energy: -609.987
where: short stacking energy: -241.132
Base-Backbone interact. energy: -1.156
local terms energy: -264.157822
where:
bonds (distance) C4'-P energy: -51.282
bonds (distance) P-C4' energy: -36.509
flat angles C4'-P-C4' energy: -60.290
flat angles P-C4'-P energy: -43.690
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: 4, replica: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -817.355446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.355446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.355446 (E_RNA)
where:
Base-Base interactions energy: -556.962
where: short stacking energy: -232.951
Base-Backbone interact. energy: -2.928
local terms energy: -257.465569
where:
bonds (distance) C4'-P energy: -47.389
bonds (distance) P-C4' energy: -49.979
flat angles C4'-P-C4' energy: -58.041
flat angles P-C4'-P energy: -34.944
tors. eta vs tors. theta energy: -67.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -822.564452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.564452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.564452 (E_RNA)
where:
Base-Base interactions energy: -569.650
where: short stacking energy: -238.972
Base-Backbone interact. energy: -0.927
local terms energy: -251.987251
where:
bonds (distance) C4'-P energy: -47.587
bonds (distance) P-C4' energy: -38.862
flat angles C4'-P-C4' energy: -60.698
flat angles P-C4'-P energy: -38.350
tors. eta vs tors. theta energy: -66.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -753.827654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.827654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.827654 (E_RNA)
where:
Base-Base interactions energy: -514.769
where: short stacking energy: -217.986
Base-Backbone interact. energy: -1.153
local terms energy: -237.905820
where:
bonds (distance) C4'-P energy: -32.435
bonds (distance) P-C4' energy: -48.179
flat angles C4'-P-C4' energy: -56.837
flat angles P-C4'-P energy: -41.460
tors. eta vs tors. theta energy: -58.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -659.684147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.684147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.684147 (E_RNA)
where:
Base-Base interactions energy: -443.229
where: short stacking energy: -190.594
Base-Backbone interact. energy: -0.222
local terms energy: -216.232993
where:
bonds (distance) C4'-P energy: -43.643
bonds (distance) P-C4' energy: -45.266
flat angles C4'-P-C4' energy: -48.085
flat angles P-C4'-P energy: -31.227
tors. eta vs tors. theta energy: -48.012
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: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -459.046498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.046498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.046498 (E_RNA)
where:
Base-Base interactions energy: -256.391
where: short stacking energy: -113.860
Base-Backbone interact. energy: -0.782
local terms energy: -201.874106
where:
bonds (distance) C4'-P energy: -51.619
bonds (distance) P-C4' energy: -55.479
flat angles C4'-P-C4' energy: -48.074
flat angles P-C4'-P energy: -28.941
tors. eta vs tors. theta energy: -17.761
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: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -334.906215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.906215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.906215 (E_RNA)
where:
Base-Base interactions energy: -159.842
where: short stacking energy: -108.231
Base-Backbone interact. energy: -1.441
local terms energy: -173.623311
where:
bonds (distance) C4'-P energy: -56.126
bonds (distance) P-C4' energy: -44.370
flat angles C4'-P-C4' energy: -38.292
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -12.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -246.484953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.484953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.484953 (E_RNA)
where:
Base-Base interactions energy: -106.672
where: short stacking energy: -51.516
Base-Backbone interact. energy: 1.330
local terms energy: -141.142687
where:
bonds (distance) C4'-P energy: -36.455
bonds (distance) P-C4' energy: -43.154
flat angles C4'-P-C4' energy: -49.684
flat angles P-C4'-P energy: -22.421
tors. eta vs tors. theta energy: 10.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -935.598243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.598243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.598243 (E_RNA)
where:
Base-Base interactions energy: -643.944
where: short stacking energy: -264.818
Base-Backbone interact. energy: -1.681
local terms energy: -289.973430
where:
bonds (distance) C4'-P energy: -54.435
bonds (distance) P-C4' energy: -52.318
flat angles C4'-P-C4' energy: -56.851
flat angles P-C4'-P energy: -41.478
tors. eta vs tors. theta energy: -84.891
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: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -920.410953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.410953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.410953 (E_RNA)
where:
Base-Base interactions energy: -635.575
where: short stacking energy: -260.074
Base-Backbone interact. energy: -4.717
local terms energy: -280.119760
where:
bonds (distance) C4'-P energy: -49.349
bonds (distance) P-C4' energy: -53.249
flat angles C4'-P-C4' energy: -59.652
flat angles P-C4'-P energy: -37.751
tors. eta vs tors. theta energy: -80.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -869.053709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.053709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.053709 (E_RNA)
where:
Base-Base interactions energy: -612.523
where: short stacking energy: -244.387
Base-Backbone interact. energy: 2.511
local terms energy: -259.042282
where:
bonds (distance) C4'-P energy: -43.165
bonds (distance) P-C4' energy: -44.694
flat angles C4'-P-C4' energy: -58.264
flat angles P-C4'-P energy: -40.519
tors. eta vs tors. theta energy: -72.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -855.264418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.264418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.264418 (E_RNA)
where:
Base-Base interactions energy: -574.386
where: short stacking energy: -254.810
Base-Backbone interact. energy: -0.433
local terms energy: -280.445842
where:
bonds (distance) C4'-P energy: -48.339
bonds (distance) P-C4' energy: -55.735
flat angles C4'-P-C4' energy: -62.768
flat angles P-C4'-P energy: -42.805
tors. eta vs tors. theta energy: -70.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -815.415690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.415690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.415690 (E_RNA)
where:
Base-Base interactions energy: -553.012
where: short stacking energy: -219.670
Base-Backbone interact. energy: 2.341
local terms energy: -264.744526
where:
bonds (distance) C4'-P energy: -52.299
bonds (distance) P-C4' energy: -52.860
flat angles C4'-P-C4' energy: -50.862
flat angles P-C4'-P energy: -41.086
tors. eta vs tors. theta energy: -67.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -716.743312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.743312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.743312 (E_RNA)
where:
Base-Base interactions energy: -476.608
where: short stacking energy: -211.668
Base-Backbone interact. energy: -1.135
local terms energy: -239.000781
where:
bonds (distance) C4'-P energy: -44.012
bonds (distance) P-C4' energy: -49.138
flat angles C4'-P-C4' energy: -53.158
flat angles P-C4'-P energy: -34.963
tors. eta vs tors. theta energy: -57.728
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: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -627.524560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.524560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.524560 (E_RNA)
where:
Base-Base interactions energy: -410.233
where: short stacking energy: -192.301
Base-Backbone interact. energy: -0.541
local terms energy: -216.750197
where:
bonds (distance) C4'-P energy: -40.005
bonds (distance) P-C4' energy: -53.752
flat angles C4'-P-C4' energy: -50.737
flat angles P-C4'-P energy: -35.364
tors. eta vs tors. theta energy: -36.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -478.906359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.906359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.906359 (E_RNA)
where:
Base-Base interactions energy: -294.810
where: short stacking energy: -141.352
Base-Backbone interact. energy: -1.350
local terms energy: -182.746438
where:
bonds (distance) C4'-P energy: -39.078
bonds (distance) P-C4' energy: -40.866
flat angles C4'-P-C4' energy: -52.557
flat angles P-C4'-P energy: -24.034
tors. eta vs tors. theta energy: -26.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -318.379060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.379060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.379060 (E_RNA)
where:
Base-Base interactions energy: -170.638
where: short stacking energy: -96.390
Base-Backbone interact. energy: -0.066
local terms energy: -147.674618
where:
bonds (distance) C4'-P energy: -43.357
bonds (distance) P-C4' energy: -45.189
flat angles C4'-P-C4' energy: -32.114
flat angles P-C4'-P energy: -21.140
tors. eta vs tors. theta energy: -5.875
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: 201
Temperature: 1.350000
Total energy: -217.962755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.962755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.962755 (E_RNA)
where:
Base-Base interactions energy: -64.236
where: short stacking energy: -61.638
Base-Backbone interact. energy: 0.558
local terms energy: -154.283949
where:
bonds (distance) C4'-P energy: -43.557
bonds (distance) P-C4' energy: -45.001
flat angles C4'-P-C4' energy: -44.498
flat angles P-C4'-P energy: -18.820
tors. eta vs tors. theta energy: -2.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -929.721369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.721369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.721369 (E_RNA)
where:
Base-Base interactions energy: -653.909
where: short stacking energy: -276.304
Base-Backbone interact. energy: -0.589
local terms energy: -275.223953
where:
bonds (distance) C4'-P energy: -47.967
bonds (distance) P-C4' energy: -52.203
flat angles C4'-P-C4' energy: -62.184
flat angles P-C4'-P energy: -35.795
tors. eta vs tors. theta energy: -77.074
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: 5
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -911.394099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.394099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.394099 (E_RNA)
where:
Base-Base interactions energy: -635.483
where: short stacking energy: -261.635
Base-Backbone interact. energy: 1.706
local terms energy: -277.616795
where:
bonds (distance) C4'-P energy: -51.511
bonds (distance) P-C4' energy: -46.177
flat angles C4'-P-C4' energy: -62.063
flat angles P-C4'-P energy: -34.662
tors. eta vs tors. theta energy: -83.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -861.042547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.042547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.042547 (E_RNA)
where:
Base-Base interactions energy: -584.625
where: short stacking energy: -246.214
Base-Backbone interact. energy: -0.361
local terms energy: -276.056466
where:
bonds (distance) C4'-P energy: -51.039
bonds (distance) P-C4' energy: -50.518
flat angles C4'-P-C4' energy: -57.899
flat angles P-C4'-P energy: -41.416
tors. eta vs tors. theta energy: -75.185
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: 4, replica: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -851.496341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.496341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.496341 (E_RNA)
where:
Base-Base interactions energy: -600.142
where: short stacking energy: -231.024
Base-Backbone interact. energy: -0.700
local terms energy: -250.654863
where:
bonds (distance) C4'-P energy: -51.208
bonds (distance) P-C4' energy: -49.999
flat angles C4'-P-C4' energy: -48.401
flat angles P-C4'-P energy: -35.460
tors. eta vs tors. theta energy: -65.587
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: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -800.993615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.993615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.993615 (E_RNA)
where:
Base-Base interactions energy: -548.069
where: short stacking energy: -229.025
Base-Backbone interact. energy: -2.136
local terms energy: -250.789349
where:
bonds (distance) C4'-P energy: -53.287
bonds (distance) P-C4' energy: -58.453
flat angles C4'-P-C4' energy: -45.578
flat angles P-C4'-P energy: -29.355
tors. eta vs tors. theta energy: -64.117
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: 7
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -731.287618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.287618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.287618 (E_RNA)
where:
Base-Base interactions energy: -506.255
where: short stacking energy: -218.627
Base-Backbone interact. energy: 2.909
local terms energy: -227.942089
where:
bonds (distance) C4'-P energy: -47.083
bonds (distance) P-C4' energy: -54.827
flat angles C4'-P-C4' energy: -44.281
flat angles P-C4'-P energy: -22.858
tors. eta vs tors. theta energy: -58.893
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: 10
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -602.910721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.910721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.910721 (E_RNA)
where:
Base-Base interactions energy: -404.002
where: short stacking energy: -152.575
Base-Backbone interact. energy: -0.447
local terms energy: -198.461352
where:
bonds (distance) C4'-P energy: -41.256
bonds (distance) P-C4' energy: -41.038
flat angles C4'-P-C4' energy: -50.256
flat angles P-C4'-P energy: -27.679
tors. eta vs tors. theta energy: -38.232
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: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -494.752468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.752468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.752468 (E_RNA)
where:
Base-Base interactions energy: -317.050
where: short stacking energy: -144.450
Base-Backbone interact. energy: -0.300
local terms energy: -177.402355
where:
bonds (distance) C4'-P energy: -43.622
bonds (distance) P-C4' energy: -43.749
flat angles C4'-P-C4' energy: -38.634
flat angles P-C4'-P energy: -26.166
tors. eta vs tors. theta energy: -25.232
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: 202
Temperature: 1.300000
Total energy: -333.832704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.832704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.832704 (E_RNA)
where:
Base-Base interactions energy: -166.975
where: short stacking energy: -99.936
Base-Backbone interact. energy: -0.998
local terms energy: -165.859605
where:
bonds (distance) C4'-P energy: -43.321
bonds (distance) P-C4' energy: -46.027
flat angles C4'-P-C4' energy: -40.876
flat angles P-C4'-P energy: -28.799
tors. eta vs tors. theta energy: -6.836
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: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -243.668170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.668170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.668170 (E_RNA)
where:
Base-Base interactions energy: -77.233
where: short stacking energy: -59.562
Base-Backbone interact. energy: -0.980
local terms energy: -165.455090
where:
bonds (distance) C4'-P energy: -54.989
bonds (distance) P-C4' energy: -49.273
flat angles C4'-P-C4' energy: -35.932
flat angles P-C4'-P energy: -27.727
tors. eta vs tors. theta energy: 2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -946.970815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.970815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.970815 (E_RNA)
where:
Base-Base interactions energy: -645.700
where: short stacking energy: -279.055
Base-Backbone interact. energy: -0.359
local terms energy: -300.911424
where:
bonds (distance) C4'-P energy: -57.666
bonds (distance) P-C4' energy: -54.394
flat angles C4'-P-C4' energy: -62.073
flat angles P-C4'-P energy: -43.125
tors. eta vs tors. theta energy: -83.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -910.928399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.928399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.928399 (E_RNA)
where:
Base-Base interactions energy: -630.671
where: short stacking energy: -252.229
Base-Backbone interact. energy: 2.013
local terms energy: -282.270162
where:
bonds (distance) C4'-P energy: -53.217
bonds (distance) P-C4' energy: -53.785
flat angles C4'-P-C4' energy: -58.939
flat angles P-C4'-P energy: -38.428
tors. eta vs tors. theta energy: -77.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -881.605888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.605888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.605888 (E_RNA)
where:
Base-Base interactions energy: -621.519
where: short stacking energy: -250.408
Base-Backbone interact. energy: -3.138
local terms energy: -256.948968
where:
bonds (distance) C4'-P energy: -41.476
bonds (distance) P-C4' energy: -46.338
flat angles C4'-P-C4' energy: -52.841
flat angles P-C4'-P energy: -42.330
tors. eta vs tors. theta energy: -73.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -819.504076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.504076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.504076 (E_RNA)
where:
Base-Base interactions energy: -571.057
where: short stacking energy: -219.116
Base-Backbone interact. energy: -0.049
local terms energy: -248.397494
where:
bonds (distance) C4'-P energy: -47.569
bonds (distance) P-C4' energy: -49.614
flat angles C4'-P-C4' energy: -53.808
flat angles P-C4'-P energy: -31.157
tors. eta vs tors. theta energy: -66.249
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: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -782.032138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.032138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.032138 (E_RNA)
where:
Base-Base interactions energy: -536.556
where: short stacking energy: -211.120
Base-Backbone interact. energy: 0.626
local terms energy: -246.102034
where:
bonds (distance) C4'-P energy: -47.095
bonds (distance) P-C4' energy: -53.206
flat angles C4'-P-C4' energy: -52.545
flat angles P-C4'-P energy: -33.770
tors. eta vs tors. theta energy: -59.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -759.824187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.824187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.824187 (E_RNA)
where:
Base-Base interactions energy: -526.057
where: short stacking energy: -209.406
Base-Backbone interact. energy: -2.762
local terms energy: -231.005327
where:
bonds (distance) C4'-P energy: -46.532
bonds (distance) P-C4' energy: -43.244
flat angles C4'-P-C4' energy: -53.380
flat angles P-C4'-P energy: -31.402
tors. eta vs tors. theta energy: -56.448
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: 10
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -644.904432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.904432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.904432 (E_RNA)
where:
Base-Base interactions energy: -413.787
where: short stacking energy: -177.846
Base-Backbone interact. energy: -0.426
local terms energy: -230.691916
where:
bonds (distance) C4'-P energy: -46.195
bonds (distance) P-C4' energy: -52.196
flat angles C4'-P-C4' energy: -45.695
flat angles P-C4'-P energy: -30.132
tors. eta vs tors. theta energy: -56.472
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: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -469.216668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.216668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.216668 (E_RNA)
where:
Base-Base interactions energy: -280.052
where: short stacking energy: -133.743
Base-Backbone interact. energy: 0.913
local terms energy: -190.077962
where:
bonds (distance) C4'-P energy: -51.828
bonds (distance) P-C4' energy: -40.198
flat angles C4'-P-C4' energy: -53.610
flat angles P-C4'-P energy: -20.041
tors. eta vs tors. theta energy: -24.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -322.931014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.931014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.931014 (E_RNA)
where:
Base-Base interactions energy: -170.527
where: short stacking energy: -115.856
Base-Backbone interact. energy: -0.754
local terms energy: -151.649970
where:
bonds (distance) C4'-P energy: -34.771
bonds (distance) P-C4' energy: -44.407
flat angles C4'-P-C4' energy: -42.065
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -11.990
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: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -248.451890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.451890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.451890 (E_RNA)
where:
Base-Base interactions energy: -93.576
where: short stacking energy: -82.324
Base-Backbone interact. energy: 3.882
local terms energy: -158.758374
where:
bonds (distance) C4'-P energy: -41.987
bonds (distance) P-C4' energy: -47.350
flat angles C4'-P-C4' energy: -44.046
flat angles P-C4'-P energy: -22.527
tors. eta vs tors. theta energy: -2.848
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: 3
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -942.934918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.934918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.934918 (E_RNA)
where:
Base-Base interactions energy: -645.876
where: short stacking energy: -277.577
Base-Backbone interact. energy: -3.152
local terms energy: -293.906855
where:
bonds (distance) C4'-P energy: -54.727
bonds (distance) P-C4' energy: -59.318
flat angles C4'-P-C4' energy: -58.435
flat angles P-C4'-P energy: -35.870
tors. eta vs tors. theta energy: -85.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -957.539213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.539213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.539213 (E_RNA)
where:
Base-Base interactions energy: -681.918
where: short stacking energy: -260.920
Base-Backbone interact. energy: -2.658
local terms energy: -272.963179
where:
bonds (distance) C4'-P energy: -49.426
bonds (distance) P-C4' energy: -49.149
flat angles C4'-P-C4' energy: -55.380
flat angles P-C4'-P energy: -40.745
tors. eta vs tors. theta energy: -78.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -886.616179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.616179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.616179 (E_RNA)
where:
Base-Base interactions energy: -615.770
where: short stacking energy: -250.044
Base-Backbone interact. energy: -0.479
local terms energy: -270.367199
where:
bonds (distance) C4'-P energy: -54.916
bonds (distance) P-C4' energy: -47.308
flat angles C4'-P-C4' energy: -52.909
flat angles P-C4'-P energy: -41.471
tors. eta vs tors. theta energy: -73.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -856.249845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.249845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.249845 (E_RNA)
where:
Base-Base interactions energy: -585.864
where: short stacking energy: -239.715
Base-Backbone interact. energy: 0.354
local terms energy: -270.739663
where:
bonds (distance) C4'-P energy: -55.735
bonds (distance) P-C4' energy: -51.398
flat angles C4'-P-C4' energy: -57.035
flat angles P-C4'-P energy: -34.544
tors. eta vs tors. theta energy: -72.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -792.875414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.875414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.875414 (E_RNA)
where:
Base-Base interactions energy: -529.635
where: short stacking energy: -214.426
Base-Backbone interact. energy: -0.713
local terms energy: -262.527173
where:
bonds (distance) C4'-P energy: -45.330
bonds (distance) P-C4' energy: -49.452
flat angles C4'-P-C4' energy: -54.336
flat angles P-C4'-P energy: -46.711
tors. eta vs tors. theta energy: -66.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -763.265192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.265192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.265192 (E_RNA)
where:
Base-Base interactions energy: -530.526
where: short stacking energy: -220.012
Base-Backbone interact. energy: 2.629
local terms energy: -235.368009
where:
bonds (distance) C4'-P energy: -40.944
bonds (distance) P-C4' energy: -45.778
flat angles C4'-P-C4' energy: -56.667
flat angles P-C4'-P energy: -27.453
tors. eta vs tors. theta energy: -64.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -635.072785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.072785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.072785 (E_RNA)
where:
Base-Base interactions energy: -432.445
where: short stacking energy: -189.862
Base-Backbone interact. energy: 0.995
local terms energy: -203.622964
where:
bonds (distance) C4'-P energy: -36.999
bonds (distance) P-C4' energy: -46.344
flat angles C4'-P-C4' energy: -46.311
flat angles P-C4'-P energy: -34.938
tors. eta vs tors. theta energy: -39.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -483.648438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.648438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.648438 (E_RNA)
where:
Base-Base interactions energy: -305.012
where: short stacking energy: -156.180
Base-Backbone interact. energy: 0.844
local terms energy: -179.480668
where:
bonds (distance) C4'-P energy: -42.523
bonds (distance) P-C4' energy: -43.445
flat angles C4'-P-C4' energy: -31.679
flat angles P-C4'-P energy: -32.386
tors. eta vs tors. theta energy: -29.447
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: 9, replica: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -245.141758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.141758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.141758 (E_RNA)
where:
Base-Base interactions energy: -86.633
where: short stacking energy: -80.170
Base-Backbone interact. energy: 2.899
local terms energy: -161.407260
where:
bonds (distance) C4'-P energy: -44.816
bonds (distance) P-C4' energy: -38.475
flat angles C4'-P-C4' energy: -50.847
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -8.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -314.631882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.631882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.631882 (E_RNA)
where:
Base-Base interactions energy: -150.453
where: short stacking energy: -92.457
Base-Backbone interact. energy: -0.486
local terms energy: -163.692765
where:
bonds (distance) C4'-P energy: -53.380
bonds (distance) P-C4' energy: -46.623
flat angles C4'-P-C4' energy: -38.826
flat angles P-C4'-P energy: -17.757
tors. eta vs tors. theta energy: -7.107
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: 3
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -954.147693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.147693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.147693 (E_RNA)
where:
Base-Base interactions energy: -656.899
where: short stacking energy: -279.998
Base-Backbone interact. energy: -1.482
local terms energy: -295.766218
where:
bonds (distance) C4'-P energy: -54.082
bonds (distance) P-C4' energy: -55.728
flat angles C4'-P-C4' energy: -58.698
flat angles P-C4'-P energy: -40.072
tors. eta vs tors. theta energy: -87.186
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: 2, replica: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -940.169517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.169517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.169517 (E_RNA)
where:
Base-Base interactions energy: -656.754
where: short stacking energy: -260.355
Base-Backbone interact. energy: 1.778
local terms energy: -285.194062
where:
bonds (distance) C4'-P energy: -47.230
bonds (distance) P-C4' energy: -48.346
flat angles C4'-P-C4' energy: -65.366
flat angles P-C4'-P energy: -44.351
tors. eta vs tors. theta energy: -79.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -876.731103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.731103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.731103 (E_RNA)
where:
Base-Base interactions energy: -591.632
where: short stacking energy: -254.955
Base-Backbone interact. energy: 0.361
local terms energy: -285.459997
where:
bonds (distance) C4'-P energy: -55.468
bonds (distance) P-C4' energy: -57.995
flat angles C4'-P-C4' energy: -54.594
flat angles P-C4'-P energy: -44.050
tors. eta vs tors. theta energy: -73.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -819.588616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.588616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.588616 (E_RNA)
where:
Base-Base interactions energy: -554.230
where: short stacking energy: -235.091
Base-Backbone interact. energy: 1.129
local terms energy: -266.487479
where:
bonds (distance) C4'-P energy: -48.916
bonds (distance) P-C4' energy: -50.887
flat angles C4'-P-C4' energy: -49.986
flat angles P-C4'-P energy: -42.113
tors. eta vs tors. theta energy: -74.585
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: 205
Temperature: 1.100000
Total energy: -834.760218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.760218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.760218 (E_RNA)
where:
Base-Base interactions energy: -596.918
where: short stacking energy: -225.636
Base-Backbone interact. energy: -1.285
local terms energy: -236.557432
where:
bonds (distance) C4'-P energy: -38.787
bonds (distance) P-C4' energy: -47.922
flat angles C4'-P-C4' energy: -55.318
flat angles P-C4'-P energy: -28.984
tors. eta vs tors. theta energy: -65.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -751.868400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.868400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.868400 (E_RNA)
where:
Base-Base interactions energy: -519.503
where: short stacking energy: -208.454
Base-Backbone interact. energy: 2.072
local terms energy: -234.437840
where:
bonds (distance) C4'-P energy: -46.608
bonds (distance) P-C4' energy: -40.117
flat angles C4'-P-C4' energy: -57.642
flat angles P-C4'-P energy: -27.784
tors. eta vs tors. theta energy: -62.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -617.691879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.691879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.691879 (E_RNA)
where:
Base-Base interactions energy: -418.522
where: short stacking energy: -178.225
Base-Backbone interact. energy: -0.463
local terms energy: -198.706497
where:
bonds (distance) C4'-P energy: -54.520
bonds (distance) P-C4' energy: -49.179
flat angles C4'-P-C4' energy: -39.477
flat angles P-C4'-P energy: -26.069
tors. eta vs tors. theta energy: -29.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -498.594207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.594207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.594207 (E_RNA)
where:
Base-Base interactions energy: -302.879
where: short stacking energy: -159.694
Base-Backbone interact. energy: -0.969
local terms energy: -194.746082
where:
bonds (distance) C4'-P energy: -46.577
bonds (distance) P-C4' energy: -50.233
flat angles C4'-P-C4' energy: -47.223
flat angles P-C4'-P energy: -18.574
tors. eta vs tors. theta energy: -32.139
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: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -264.718554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.718554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.718554 (E_RNA)
where:
Base-Base interactions energy: -83.500
where: short stacking energy: -79.296
Base-Backbone interact. energy: -0.793
local terms energy: -180.425945
where:
bonds (distance) C4'-P energy: -39.266
bonds (distance) P-C4' energy: -52.450
flat angles C4'-P-C4' energy: -40.560
flat angles P-C4'-P energy: -27.398
tors. eta vs tors. theta energy: -20.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -295.452885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.452885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.452885 (E_RNA)
where:
Base-Base interactions energy: -128.769
where: short stacking energy: -81.722
Base-Backbone interact. energy: 1.711
local terms energy: -168.394845
where:
bonds (distance) C4'-P energy: -49.455
bonds (distance) P-C4' energy: -46.156
flat angles C4'-P-C4' energy: -42.837
flat angles P-C4'-P energy: -16.881
tors. eta vs tors. theta energy: -13.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -944.296745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.296745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.296745 (E_RNA)
where:
Base-Base interactions energy: -660.402
where: short stacking energy: -282.065
Base-Backbone interact. energy: -1.791
local terms energy: -282.103761
where:
bonds (distance) C4'-P energy: -49.483
bonds (distance) P-C4' energy: -45.566
flat angles C4'-P-C4' energy: -61.600
flat angles P-C4'-P energy: -43.240
tors. eta vs tors. theta energy: -82.216
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: 5
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -912.329344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.329344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.329344 (E_RNA)
where:
Base-Base interactions energy: -647.985
where: short stacking energy: -268.485
Base-Backbone interact. energy: 5.377
local terms energy: -269.721151
where:
bonds (distance) C4'-P energy: -43.683
bonds (distance) P-C4' energy: -49.577
flat angles C4'-P-C4' energy: -57.088
flat angles P-C4'-P energy: -40.114
tors. eta vs tors. theta energy: -79.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -867.332263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.332263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.332263 (E_RNA)
where:
Base-Base interactions energy: -598.007
where: short stacking energy: -244.125
Base-Backbone interact. energy: -1.710
local terms energy: -267.614753
where:
bonds (distance) C4'-P energy: -50.860
bonds (distance) P-C4' energy: -56.420
flat angles C4'-P-C4' energy: -58.885
flat angles P-C4'-P energy: -32.352
tors. eta vs tors. theta energy: -69.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -816.334335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.334335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.334335 (E_RNA)
where:
Base-Base interactions energy: -560.503
where: short stacking energy: -232.722
Base-Backbone interact. energy: -0.471
local terms energy: -255.360071
where:
bonds (distance) C4'-P energy: -42.125
bonds (distance) P-C4' energy: -55.898
flat angles C4'-P-C4' energy: -57.853
flat angles P-C4'-P energy: -29.159
tors. eta vs tors. theta energy: -70.325
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: 1
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -841.330636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.330636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.330636 (E_RNA)
where:
Base-Base interactions energy: -592.984
where: short stacking energy: -239.002
Base-Backbone interact. energy: 1.359
local terms energy: -249.705448
where:
bonds (distance) C4'-P energy: -44.445
bonds (distance) P-C4' energy: -50.575
flat angles C4'-P-C4' energy: -48.184
flat angles P-C4'-P energy: -38.211
tors. eta vs tors. theta energy: -68.290
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: 2
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -778.918625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.918625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.918625 (E_RNA)
where:
Base-Base interactions energy: -541.431
where: short stacking energy: -211.658
Base-Backbone interact. energy: -1.342
local terms energy: -236.145893
where:
bonds (distance) C4'-P energy: -40.544
bonds (distance) P-C4' energy: -51.502
flat angles C4'-P-C4' energy: -50.366
flat angles P-C4'-P energy: -30.991
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: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -644.647706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.647706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.647706 (E_RNA)
where:
Base-Base interactions energy: -434.392
where: short stacking energy: -188.513
Base-Backbone interact. energy: -1.437
local terms energy: -208.818057
where:
bonds (distance) C4'-P energy: -44.582
bonds (distance) P-C4' energy: -52.350
flat angles C4'-P-C4' energy: -45.051
flat angles P-C4'-P energy: -30.175
tors. eta vs tors. theta energy: -36.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -501.359314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.359314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.359314 (E_RNA)
where:
Base-Base interactions energy: -293.264
where: short stacking energy: -152.634
Base-Backbone interact. energy: -2.742
local terms energy: -205.354246
where:
bonds (distance) C4'-P energy: -48.116
bonds (distance) P-C4' energy: -48.240
flat angles C4'-P-C4' energy: -48.694
flat angles P-C4'-P energy: -29.618
tors. eta vs tors. theta energy: -30.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -334.376299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.376299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.376299 (E_RNA)
where:
Base-Base interactions energy: -178.279
where: short stacking energy: -96.934
Base-Backbone interact. energy: -0.501
local terms energy: -155.596053
where:
bonds (distance) C4'-P energy: -44.987
bonds (distance) P-C4' energy: -45.008
flat angles C4'-P-C4' energy: -48.200
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -1.903
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: 8
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -260.557811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.557811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.557811 (E_RNA)
where:
Base-Base interactions energy: -68.170
where: short stacking energy: -66.313
Base-Backbone interact. energy: 2.412
local terms energy: -194.800261
where:
bonds (distance) C4'-P energy: -59.484
bonds (distance) P-C4' energy: -62.264
flat angles C4'-P-C4' energy: -44.858
flat angles P-C4'-P energy: -29.384
tors. eta vs tors. theta energy: 1.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -939.958803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.958803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.958803 (E_RNA)
where:
Base-Base interactions energy: -648.351
where: short stacking energy: -264.633
Base-Backbone interact. energy: -1.211
local terms energy: -290.396774
where:
bonds (distance) C4'-P energy: -54.185
bonds (distance) P-C4' energy: -55.761
flat angles C4'-P-C4' energy: -55.212
flat angles P-C4'-P energy: -43.618
tors. eta vs tors. theta energy: -81.620
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: 2, replica: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -916.690358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.690358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.690358 (E_RNA)
where:
Base-Base interactions energy: -652.326
where: short stacking energy: -260.626
Base-Backbone interact. energy: -1.828
local terms energy: -262.535406
where:
bonds (distance) C4'-P energy: -54.542
bonds (distance) P-C4' energy: -41.085
flat angles C4'-P-C4' energy: -51.821
flat angles P-C4'-P energy: -37.400
tors. eta vs tors. theta energy: -77.687
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: 207
Temperature: 1.000000
Total energy: -854.334215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.334215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.334215 (E_RNA)
where:
Base-Base interactions energy: -588.193
where: short stacking energy: -254.667
Base-Backbone interact. energy: -1.541
local terms energy: -264.600980
where:
bonds (distance) C4'-P energy: -39.284
bonds (distance) P-C4' energy: -54.686
flat angles C4'-P-C4' energy: -56.044
flat angles P-C4'-P energy: -41.381
tors. eta vs tors. theta energy: -73.206
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: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -855.266818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.266818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.266818 (E_RNA)
where:
Base-Base interactions energy: -586.611
where: short stacking energy: -226.828
Base-Backbone interact. energy: 0.795
local terms energy: -269.451157
where:
bonds (distance) C4'-P energy: -56.145
bonds (distance) P-C4' energy: -58.123
flat angles C4'-P-C4' energy: -59.269
flat angles P-C4'-P energy: -33.344
tors. eta vs tors. theta energy: -62.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -801.220080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.220080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.220080 (E_RNA)
where:
Base-Base interactions energy: -568.878
where: short stacking energy: -233.790
Base-Backbone interact. energy: 1.215
local terms energy: -233.557050
where:
bonds (distance) C4'-P energy: -40.240
bonds (distance) P-C4' energy: -49.282
flat angles C4'-P-C4' energy: -50.572
flat angles P-C4'-P energy: -29.641
tors. eta vs tors. theta energy: -63.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -809.801995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.801995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.801995 (E_RNA)
where:
Base-Base interactions energy: -566.667
where: short stacking energy: -228.870
Base-Backbone interact. energy: -0.494
local terms energy: -242.641482
where:
bonds (distance) C4'-P energy: -42.284
bonds (distance) P-C4' energy: -41.730
flat angles C4'-P-C4' energy: -53.001
flat angles P-C4'-P energy: -38.049
tors. eta vs tors. theta energy: -67.578
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: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -642.956018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.956018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.956018 (E_RNA)
where:
Base-Base interactions energy: -436.806
where: short stacking energy: -188.304
Base-Backbone interact. energy: 0.027
local terms energy: -206.176698
where:
bonds (distance) C4'-P energy: -38.482
bonds (distance) P-C4' energy: -47.585
flat angles C4'-P-C4' energy: -45.888
flat angles P-C4'-P energy: -27.051
tors. eta vs tors. theta energy: -47.172
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: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -463.325164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.325164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.325164 (E_RNA)
where:
Base-Base interactions energy: -290.416
where: short stacking energy: -133.153
Base-Backbone interact. energy: -0.724
local terms energy: -172.185136
where:
bonds (distance) C4'-P energy: -38.992
bonds (distance) P-C4' energy: -46.568
flat angles C4'-P-C4' energy: -37.081
flat angles P-C4'-P energy: -24.429
tors. eta vs tors. theta energy: -25.115
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: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -320.368162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.368162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.368162 (E_RNA)
where:
Base-Base interactions energy: -159.909
where: short stacking energy: -97.430
Base-Backbone interact. energy: -0.577
local terms energy: -159.882294
where:
bonds (distance) C4'-P energy: -46.492
bonds (distance) P-C4' energy: -47.425
flat angles C4'-P-C4' energy: -48.339
flat angles P-C4'-P energy: -15.645
tors. eta vs tors. theta energy: -1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -260.270749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.270749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.270749 (E_RNA)
where:
Base-Base interactions energy: -105.782
where: short stacking energy: -94.821
Base-Backbone interact. energy: 0.768
local terms energy: -155.256551
where:
bonds (distance) C4'-P energy: -29.279
bonds (distance) P-C4' energy: -48.920
flat angles C4'-P-C4' energy: -48.834
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -13.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -961.191798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.191798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.191798 (E_RNA)
where:
Base-Base interactions energy: -675.756
where: short stacking energy: -274.800
Base-Backbone interact. energy: 1.079
local terms energy: -286.515473
where:
bonds (distance) C4'-P energy: -48.234
bonds (distance) P-C4' energy: -57.684
flat angles C4'-P-C4' energy: -60.526
flat angles P-C4'-P energy: -35.053
tors. eta vs tors. theta energy: -85.019
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: 208
Temperature: 0.950000
Total energy: -937.138026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.138026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.138026 (E_RNA)
where:
Base-Base interactions energy: -648.053
where: short stacking energy: -275.185
Base-Backbone interact. energy: -2.477
local terms energy: -286.607531
where:
bonds (distance) C4'-P energy: -48.227
bonds (distance) P-C4' energy: -52.665
flat angles C4'-P-C4' energy: -58.102
flat angles P-C4'-P energy: -43.109
tors. eta vs tors. theta energy: -84.504
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: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -858.970507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.970507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.970507 (E_RNA)
where:
Base-Base interactions energy: -576.736
where: short stacking energy: -248.308
Base-Backbone interact. energy: -1.901
local terms energy: -280.333977
where:
bonds (distance) C4'-P energy: -46.715
bonds (distance) P-C4' energy: -52.257
flat angles C4'-P-C4' energy: -58.350
flat angles P-C4'-P energy: -49.061
tors. eta vs tors. theta energy: -73.951
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: 4, replica: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -878.992100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.992100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.992100 (E_RNA)
where:
Base-Base interactions energy: -624.255
where: short stacking energy: -257.693
Base-Backbone interact. energy: -1.055
local terms energy: -253.681705
where:
bonds (distance) C4'-P energy: -49.905
bonds (distance) P-C4' energy: -43.391
flat angles C4'-P-C4' energy: -48.934
flat angles P-C4'-P energy: -37.514
tors. eta vs tors. theta energy: -73.937
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: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -794.263627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.263627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.263627 (E_RNA)
where:
Base-Base interactions energy: -535.035
where: short stacking energy: -215.614
Base-Backbone interact. energy: 1.466
local terms energy: -260.695124
where:
bonds (distance) C4'-P energy: -43.624
bonds (distance) P-C4' energy: -54.502
flat angles C4'-P-C4' energy: -60.345
flat angles P-C4'-P energy: -39.208
tors. eta vs tors. theta energy: -63.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -757.474481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.474481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.474481 (E_RNA)
where:
Base-Base interactions energy: -516.853
where: short stacking energy: -206.135
Base-Backbone interact. energy: -2.024
local terms energy: -238.597256
where:
bonds (distance) C4'-P energy: -53.893
bonds (distance) P-C4' energy: -43.753
flat angles C4'-P-C4' energy: -50.937
flat angles P-C4'-P energy: -30.924
tors. eta vs tors. theta energy: -59.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -643.392040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.392040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.392040 (E_RNA)
where:
Base-Base interactions energy: -426.465
where: short stacking energy: -189.818
Base-Backbone interact. energy: 0.673
local terms energy: -217.599578
where:
bonds (distance) C4'-P energy: -48.180
bonds (distance) P-C4' energy: -36.721
flat angles C4'-P-C4' energy: -50.841
flat angles P-C4'-P energy: -38.106
tors. eta vs tors. theta energy: -43.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -442.268993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.268993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.268993 (E_RNA)
where:
Base-Base interactions energy: -262.178
where: short stacking energy: -135.879
Base-Backbone interact. energy: 0.007
local terms energy: -180.098219
where:
bonds (distance) C4'-P energy: -35.644
bonds (distance) P-C4' energy: -55.310
flat angles C4'-P-C4' energy: -43.483
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -24.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -334.218575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.218575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.218575 (E_RNA)
where:
Base-Base interactions energy: -150.607
where: short stacking energy: -88.662
Base-Backbone interact. energy: 1.225
local terms energy: -184.836482
where:
bonds (distance) C4'-P energy: -43.781
bonds (distance) P-C4' energy: -48.380
flat angles C4'-P-C4' energy: -48.980
flat angles P-C4'-P energy: -31.622
tors. eta vs tors. theta energy: -12.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -238.727735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.727735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.727735 (E_RNA)
where:
Base-Base interactions energy: -100.791
where: short stacking energy: -87.124
Base-Backbone interact. energy: -0.043
local terms energy: -137.893670
where:
bonds (distance) C4'-P energy: -45.255
bonds (distance) P-C4' energy: -41.554
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -21.893
tors. eta vs tors. theta energy: -10.797
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: 1, replica: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -962.245641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.245641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.245641 (E_RNA)
where:
Base-Base interactions energy: -675.530
where: short stacking energy: -286.690
Base-Backbone interact. energy: 2.472
local terms energy: -289.187733
where:
bonds (distance) C4'-P energy: -47.212
bonds (distance) P-C4' energy: -49.909
flat angles C4'-P-C4' energy: -61.963
flat angles P-C4'-P energy: -44.446
tors. eta vs tors. theta energy: -85.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -920.682379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.682379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.682379 (E_RNA)
where:
Base-Base interactions energy: -636.225
where: short stacking energy: -258.101
Base-Backbone interact. energy: -1.279
local terms energy: -283.178210
where:
bonds (distance) C4'-P energy: -43.836
bonds (distance) P-C4' energy: -56.578
flat angles C4'-P-C4' energy: -63.520
flat angles P-C4'-P energy: -39.810
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: 3, replica: 6
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -868.724460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.724460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.724460 (E_RNA)
where:
Base-Base interactions energy: -607.579
where: short stacking energy: -258.573
Base-Backbone interact. energy: -0.742
local terms energy: -260.402660
where:
bonds (distance) C4'-P energy: -43.822
bonds (distance) P-C4' energy: -60.268
flat angles C4'-P-C4' energy: -49.458
flat angles P-C4'-P energy: -33.809
tors. eta vs tors. theta energy: -73.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -849.766177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.766177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.766177 (E_RNA)
where:
Base-Base interactions energy: -577.790
where: short stacking energy: -237.859
Base-Backbone interact. energy: -3.039
local terms energy: -268.937338
where:
bonds (distance) C4'-P energy: -51.320
bonds (distance) P-C4' energy: -47.396
flat angles C4'-P-C4' energy: -59.807
flat angles P-C4'-P energy: -35.940
tors. eta vs tors. theta energy: -74.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -774.625600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.625600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.625600 (E_RNA)
where:
Base-Base interactions energy: -522.835
where: short stacking energy: -208.947
Base-Backbone interact. energy: 1.453
local terms energy: -253.243514
where:
bonds (distance) C4'-P energy: -56.948
bonds (distance) P-C4' energy: -44.199
flat angles C4'-P-C4' energy: -51.774
flat angles P-C4'-P energy: -35.103
tors. eta vs tors. theta energy: -65.220
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: 6, replica: 7
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -730.822095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.822095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.822095 (E_RNA)
where:
Base-Base interactions energy: -484.797
where: short stacking energy: -210.968
Base-Backbone interact. energy: -0.814
local terms energy: -245.210801
where:
bonds (distance) C4'-P energy: -43.251
bonds (distance) P-C4' energy: -50.904
flat angles C4'-P-C4' energy: -49.687
flat angles P-C4'-P energy: -38.387
tors. eta vs tors. theta energy: -62.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -612.117930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.117930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.117930 (E_RNA)
where:
Base-Base interactions energy: -414.391
where: short stacking energy: -187.358
Base-Backbone interact. energy: 1.535
local terms energy: -199.262590
where:
bonds (distance) C4'-P energy: -39.280
bonds (distance) P-C4' energy: -48.040
flat angles C4'-P-C4' energy: -42.273
flat angles P-C4'-P energy: -31.223
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: 8, replica: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -441.898555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.898555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.898555 (E_RNA)
where:
Base-Base interactions energy: -274.106
where: short stacking energy: -141.420
Base-Backbone interact. energy: -0.844
local terms energy: -166.948087
where:
bonds (distance) C4'-P energy: -47.239
bonds (distance) P-C4' energy: -43.703
flat angles C4'-P-C4' energy: -35.055
flat angles P-C4'-P energy: -20.347
tors. eta vs tors. theta energy: -20.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -324.966796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.966796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.966796 (E_RNA)
where:
Base-Base interactions energy: -152.013
where: short stacking energy: -90.851
Base-Backbone interact. energy: -1.121
local terms energy: -171.832851
where:
bonds (distance) C4'-P energy: -39.572
bonds (distance) P-C4' energy: -52.505
flat angles C4'-P-C4' energy: -45.303
flat angles P-C4'-P energy: -22.577
tors. eta vs tors. theta energy: -11.875
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: 209
Temperature: 1.350000
Total energy: -226.742953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.742953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.742953 (E_RNA)
where:
Base-Base interactions energy: -80.923
where: short stacking energy: -78.963
Base-Backbone interact. energy: -0.281
local terms energy: -145.538982
where:
bonds (distance) C4'-P energy: -38.710
bonds (distance) P-C4' energy: -51.808
flat angles C4'-P-C4' energy: -39.226
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: 3.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -973.174556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.174556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.174556 (E_RNA)
where:
Base-Base interactions energy: -675.486
where: short stacking energy: -277.710
Base-Backbone interact. energy: -3.068
local terms energy: -294.620315
where:
bonds (distance) C4'-P energy: -52.260
bonds (distance) P-C4' energy: -51.138
flat angles C4'-P-C4' energy: -61.049
flat angles P-C4'-P energy: -42.991
tors. eta vs tors. theta energy: -87.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -952.641425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.641425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.641425 (E_RNA)
where:
Base-Base interactions energy: -658.327
where: short stacking energy: -272.310
Base-Backbone interact. energy: -0.536
local terms energy: -293.778721
where:
bonds (distance) C4'-P energy: -55.771
bonds (distance) P-C4' energy: -57.050
flat angles C4'-P-C4' energy: -60.357
flat angles P-C4'-P energy: -39.157
tors. eta vs tors. theta energy: -81.445
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: 210
Temperature: 1.000000
Total energy: -867.714931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.714931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.714931 (E_RNA)
where:
Base-Base interactions energy: -588.921
where: short stacking energy: -242.978
Base-Backbone interact. energy: -3.649
local terms energy: -275.145008
where:
bonds (distance) C4'-P energy: -55.228
bonds (distance) P-C4' energy: -62.606
flat angles C4'-P-C4' energy: -56.366
flat angles P-C4'-P energy: -31.318
tors. eta vs tors. theta energy: -69.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -885.557733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.557733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.557733 (E_RNA)
where:
Base-Base interactions energy: -611.651
where: short stacking energy: -250.843
Base-Backbone interact. energy: -1.673
local terms energy: -272.233654
where:
bonds (distance) C4'-P energy: -48.654
bonds (distance) P-C4' energy: -45.688
flat angles C4'-P-C4' energy: -59.466
flat angles P-C4'-P energy: -42.700
tors. eta vs tors. theta energy: -75.726
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: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -814.310480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.310480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.310480 (E_RNA)
where:
Base-Base interactions energy: -558.727
where: short stacking energy: -229.699
Base-Backbone interact. energy: -0.448
local terms energy: -255.135518
where:
bonds (distance) C4'-P energy: -40.292
bonds (distance) P-C4' energy: -48.758
flat angles C4'-P-C4' energy: -59.666
flat angles P-C4'-P energy: -38.787
tors. eta vs tors. theta energy: -67.632
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: 210
Temperature: 1.150000
Total energy: -733.256323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.256323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.256323 (E_RNA)
where:
Base-Base interactions energy: -510.204
where: short stacking energy: -216.130
Base-Backbone interact. energy: 1.622
local terms energy: -224.673970
where:
bonds (distance) C4'-P energy: -38.153
bonds (distance) P-C4' energy: -49.716
flat angles C4'-P-C4' energy: -52.130
flat angles P-C4'-P energy: -24.917
tors. eta vs tors. theta energy: -59.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -627.898025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.898025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.898025 (E_RNA)
where:
Base-Base interactions energy: -408.025
where: short stacking energy: -184.782
Base-Backbone interact. energy: -0.642
local terms energy: -219.231554
where:
bonds (distance) C4'-P energy: -48.325
bonds (distance) P-C4' energy: -46.970
flat angles C4'-P-C4' energy: -47.270
flat angles P-C4'-P energy: -33.847
tors. eta vs tors. theta energy: -42.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -422.573157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.573157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.573157 (E_RNA)
where:
Base-Base interactions energy: -233.560
where: short stacking energy: -134.388
Base-Backbone interact. energy: -1.375
local terms energy: -187.638165
where:
bonds (distance) C4'-P energy: -44.110
bonds (distance) P-C4' energy: -46.338
flat angles C4'-P-C4' energy: -47.392
flat angles P-C4'-P energy: -27.134
tors. eta vs tors. theta energy: -22.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -353.763890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.763890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.763890 (E_RNA)
where:
Base-Base interactions energy: -172.908
where: short stacking energy: -100.290
Base-Backbone interact. energy: 0.118
local terms energy: -180.974024
where:
bonds (distance) C4'-P energy: -50.339
bonds (distance) P-C4' energy: -45.239
flat angles C4'-P-C4' energy: -45.358
flat angles P-C4'-P energy: -24.692
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -242.923761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.923761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.923761 (E_RNA)
where:
Base-Base interactions energy: -81.597
where: short stacking energy: -80.172
Base-Backbone interact. energy: 0.287
local terms energy: -161.613765
where:
bonds (distance) C4'-P energy: -46.091
bonds (distance) P-C4' energy: -44.486
flat angles C4'-P-C4' energy: -44.152
flat angles P-C4'-P energy: -25.039
tors. eta vs tors. theta energy: -1.846
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: 3
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -955.701209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.701209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.701209 (E_RNA)
where:
Base-Base interactions energy: -659.703
where: short stacking energy: -269.490
Base-Backbone interact. energy: -2.693
local terms energy: -293.305034
where:
bonds (distance) C4'-P energy: -51.432
bonds (distance) P-C4' energy: -49.646
flat angles C4'-P-C4' energy: -63.647
flat angles P-C4'-P energy: -44.688
tors. eta vs tors. theta energy: -83.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -921.411277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.411277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.411277 (E_RNA)
where:
Base-Base interactions energy: -643.752
where: short stacking energy: -263.436
Base-Backbone interact. energy: -2.032
local terms energy: -275.626881
where:
bonds (distance) C4'-P energy: -48.074
bonds (distance) P-C4' energy: -48.400
flat angles C4'-P-C4' energy: -57.819
flat angles P-C4'-P energy: -40.207
tors. eta vs tors. theta energy: -81.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -877.738536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.738536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.738536 (E_RNA)
where:
Base-Base interactions energy: -604.884
where: short stacking energy: -258.068
Base-Backbone interact. energy: -1.800
local terms energy: -271.054561
where:
bonds (distance) C4'-P energy: -44.386
bonds (distance) P-C4' energy: -60.213
flat angles C4'-P-C4' energy: -50.074
flat angles P-C4'-P energy: -38.587
tors. eta vs tors. theta energy: -77.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -841.418860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.418860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.418860 (E_RNA)
where:
Base-Base interactions energy: -604.890
where: short stacking energy: -225.227
Base-Backbone interact. energy: 0.430
local terms energy: -236.958963
where:
bonds (distance) C4'-P energy: -44.974
bonds (distance) P-C4' energy: -44.860
flat angles C4'-P-C4' energy: -56.545
flat angles P-C4'-P energy: -21.353
tors. eta vs tors. theta energy: -69.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -804.545886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.545886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.545886 (E_RNA)
where:
Base-Base interactions energy: -547.637
where: short stacking energy: -231.421
Base-Backbone interact. energy: -1.613
local terms energy: -255.295257
where:
bonds (distance) C4'-P energy: -49.133
bonds (distance) P-C4' energy: -50.686
flat angles C4'-P-C4' energy: -47.469
flat angles P-C4'-P energy: -34.284
tors. eta vs tors. theta energy: -73.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -743.778640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.778640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.778640 (E_RNA)
where:
Base-Base interactions energy: -511.577
where: short stacking energy: -208.441
Base-Backbone interact. energy: -1.041
local terms energy: -231.160957
where:
bonds (distance) C4'-P energy: -46.485
bonds (distance) P-C4' energy: -44.618
flat angles C4'-P-C4' energy: -44.271
flat angles P-C4'-P energy: -31.485
tors. eta vs tors. theta energy: -64.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -661.777399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.777399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.777399 (E_RNA)
where:
Base-Base interactions energy: -452.702
where: short stacking energy: -187.535
Base-Backbone interact. energy: -0.531
local terms energy: -208.544217
where:
bonds (distance) C4'-P energy: -45.478
bonds (distance) P-C4' energy: -49.514
flat angles C4'-P-C4' energy: -47.127
flat angles P-C4'-P energy: -24.366
tors. eta vs tors. theta energy: -42.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -458.260669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.260669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.260669 (E_RNA)
where:
Base-Base interactions energy: -277.752
where: short stacking energy: -145.795
Base-Backbone interact. energy: 8.166
local terms energy: -188.673960
where:
bonds (distance) C4'-P energy: -51.434
bonds (distance) P-C4' energy: -51.966
flat angles C4'-P-C4' energy: -37.673
flat angles P-C4'-P energy: -28.424
tors. eta vs tors. theta energy: -19.177
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: 211
Temperature: 1.300000
Total energy: -326.718419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.718419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.718419 (E_RNA)
where:
Base-Base interactions energy: -164.946
where: short stacking energy: -103.543
Base-Backbone interact. energy: -1.297
local terms energy: -160.475294
where:
bonds (distance) C4'-P energy: -30.471
bonds (distance) P-C4' energy: -48.771
flat angles C4'-P-C4' energy: -40.729
flat angles P-C4'-P energy: -26.813
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -243.825974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.825974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.825974 (E_RNA)
where:
Base-Base interactions energy: -82.159
where: short stacking energy: -75.529
Base-Backbone interact. energy: 0.869
local terms energy: -162.535703
where:
bonds (distance) C4'-P energy: -45.129
bonds (distance) P-C4' energy: -47.469
flat angles C4'-P-C4' energy: -42.753
flat angles P-C4'-P energy: -24.908
tors. eta vs tors. theta energy: -2.277
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: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -958.671200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.671200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.671200 (E_RNA)
where:
Base-Base interactions energy: -657.404
where: short stacking energy: -268.824
Base-Backbone interact. energy: -1.628
local terms energy: -299.639166
where:
bonds (distance) C4'-P energy: -47.101
bonds (distance) P-C4' energy: -55.834
flat angles C4'-P-C4' energy: -64.282
flat angles P-C4'-P energy: -46.644
tors. eta vs tors. theta energy: -85.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -940.684616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.684616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.684616 (E_RNA)
where:
Base-Base interactions energy: -644.653
where: short stacking energy: -270.058
Base-Backbone interact. energy: -0.698
local terms energy: -295.333154
where:
bonds (distance) C4'-P energy: -52.902
bonds (distance) P-C4' energy: -55.403
flat angles C4'-P-C4' energy: -61.303
flat angles P-C4'-P energy: -42.373
tors. eta vs tors. theta energy: -83.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -868.726661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.726661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.726661 (E_RNA)
where:
Base-Base interactions energy: -591.957
where: short stacking energy: -260.708
Base-Backbone interact. energy: 0.659
local terms energy: -277.428901
where:
bonds (distance) C4'-P energy: -47.098
bonds (distance) P-C4' energy: -62.225
flat angles C4'-P-C4' energy: -56.737
flat angles P-C4'-P energy: -36.234
tors. eta vs tors. theta energy: -75.135
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: 4, replica: 1
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -846.813070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.813070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.813070 (E_RNA)
where:
Base-Base interactions energy: -593.034
where: short stacking energy: -247.916
Base-Backbone interact. energy: -0.235
local terms energy: -253.543761
where:
bonds (distance) C4'-P energy: -43.152
bonds (distance) P-C4' energy: -52.286
flat angles C4'-P-C4' energy: -56.511
flat angles P-C4'-P energy: -30.152
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: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -815.291043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.291043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.291043 (E_RNA)
where:
Base-Base interactions energy: -560.842
where: short stacking energy: -234.847
Base-Backbone interact. energy: -2.737
local terms energy: -251.712932
where:
bonds (distance) C4'-P energy: -54.388
bonds (distance) P-C4' energy: -51.767
flat angles C4'-P-C4' energy: -47.891
flat angles P-C4'-P energy: -30.485
tors. eta vs tors. theta energy: -67.182
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: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -763.235007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.235007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.235007 (E_RNA)
where:
Base-Base interactions energy: -534.616
where: short stacking energy: -214.546
Base-Backbone interact. energy: 1.677
local terms energy: -230.295936
where:
bonds (distance) C4'-P energy: -39.880
bonds (distance) P-C4' energy: -41.886
flat angles C4'-P-C4' energy: -52.718
flat angles P-C4'-P energy: -31.253
tors. eta vs tors. theta energy: -64.559
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: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -623.380944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.380944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.380944 (E_RNA)
where:
Base-Base interactions energy: -408.449
where: short stacking energy: -187.061
Base-Backbone interact. energy: 0.237
local terms energy: -215.169074
where:
bonds (distance) C4'-P energy: -47.170
bonds (distance) P-C4' energy: -48.505
flat angles C4'-P-C4' energy: -38.509
flat angles P-C4'-P energy: -32.005
tors. eta vs tors. theta energy: -48.980
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: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -475.516989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.516989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.516989 (E_RNA)
where:
Base-Base interactions energy: -269.980
where: short stacking energy: -144.596
Base-Backbone interact. energy: 2.348
local terms energy: -207.884642
where:
bonds (distance) C4'-P energy: -48.363
bonds (distance) P-C4' energy: -52.131
flat angles C4'-P-C4' energy: -51.281
flat angles P-C4'-P energy: -32.904
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -279.673572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.673572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.673572 (E_RNA)
where:
Base-Base interactions energy: -122.624
where: short stacking energy: -100.394
Base-Backbone interact. energy: -0.861
local terms energy: -156.188367
where:
bonds (distance) C4'-P energy: -35.506
bonds (distance) P-C4' energy: -54.750
flat angles C4'-P-C4' energy: -38.083
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -15.041
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: 8
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -219.452734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.452734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.452734 (E_RNA)
where:
Base-Base interactions energy: -63.608
where: short stacking energy: -53.950
Base-Backbone interact. energy: 1.925
local terms energy: -157.769264
where:
bonds (distance) C4'-P energy: -49.333
bonds (distance) P-C4' energy: -55.111
flat angles C4'-P-C4' energy: -27.996
flat angles P-C4'-P energy: -21.563
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -945.923587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.923587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.923587 (E_RNA)
where:
Base-Base interactions energy: -664.268
where: short stacking energy: -274.930
Base-Backbone interact. energy: -2.506
local terms energy: -279.149825
where:
bonds (distance) C4'-P energy: -50.063
bonds (distance) P-C4' energy: -49.842
flat angles C4'-P-C4' energy: -56.430
flat angles P-C4'-P energy: -40.391
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: 2, replica: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -939.426855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.426855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.426855 (E_RNA)
where:
Base-Base interactions energy: -641.880
where: short stacking energy: -265.560
Base-Backbone interact. energy: -1.052
local terms energy: -296.494602
where:
bonds (distance) C4'-P energy: -56.461
bonds (distance) P-C4' energy: -56.511
flat angles C4'-P-C4' energy: -61.680
flat angles P-C4'-P energy: -38.512
tors. eta vs tors. theta energy: -83.331
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: 3, replica: 6
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -883.593002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.593002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.593002 (E_RNA)
where:
Base-Base interactions energy: -611.507
where: short stacking energy: -275.838
Base-Backbone interact. energy: -1.706
local terms energy: -270.379215
where:
bonds (distance) C4'-P energy: -39.329
bonds (distance) P-C4' energy: -56.895
flat angles C4'-P-C4' energy: -62.115
flat angles P-C4'-P energy: -33.725
tors. eta vs tors. theta energy: -78.316
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: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -846.570747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.570747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.570747 (E_RNA)
where:
Base-Base interactions energy: -594.118
where: short stacking energy: -236.458
Base-Backbone interact. energy: 0.659
local terms energy: -253.112034
where:
bonds (distance) C4'-P energy: -54.809
bonds (distance) P-C4' energy: -43.847
flat angles C4'-P-C4' energy: -53.426
flat angles P-C4'-P energy: -39.051
tors. eta vs tors. theta energy: -61.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -803.915137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.915137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.915137 (E_RNA)
where:
Base-Base interactions energy: -536.975
where: short stacking energy: -217.162
Base-Backbone interact. energy: 2.577
local terms energy: -269.516781
where:
bonds (distance) C4'-P energy: -57.463
bonds (distance) P-C4' energy: -52.368
flat angles C4'-P-C4' energy: -58.512
flat angles P-C4'-P energy: -39.100
tors. eta vs tors. theta energy: -62.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -750.151021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.151021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.151021 (E_RNA)
where:
Base-Base interactions energy: -503.521
where: short stacking energy: -231.849
Base-Backbone interact. energy: 0.030
local terms energy: -246.659065
where:
bonds (distance) C4'-P energy: -36.127
bonds (distance) P-C4' energy: -53.467
flat angles C4'-P-C4' energy: -57.080
flat angles P-C4'-P energy: -42.922
tors. eta vs tors. theta energy: -57.063
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: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -642.993343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.993343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.993343 (E_RNA)
where:
Base-Base interactions energy: -439.397
where: short stacking energy: -181.428
Base-Backbone interact. energy: 1.342
local terms energy: -204.938085
where:
bonds (distance) C4'-P energy: -44.097
bonds (distance) P-C4' energy: -44.815
flat angles C4'-P-C4' energy: -55.378
flat angles P-C4'-P energy: -31.890
tors. eta vs tors. theta energy: -28.759
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: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -469.243482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.243482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.243482 (E_RNA)
where:
Base-Base interactions energy: -267.441
where: short stacking energy: -130.670
Base-Backbone interact. energy: -2.056
local terms energy: -199.746389
where:
bonds (distance) C4'-P energy: -48.217
bonds (distance) P-C4' energy: -49.618
flat angles C4'-P-C4' energy: -41.164
flat angles P-C4'-P energy: -37.322
tors. eta vs tors. theta energy: -23.426
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: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -246.794264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.794264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.794264 (E_RNA)
where:
Base-Base interactions energy: -91.889
where: short stacking energy: -77.644
Base-Backbone interact. energy: 0.657
local terms energy: -155.562294
where:
bonds (distance) C4'-P energy: -44.479
bonds (distance) P-C4' energy: -48.406
flat angles C4'-P-C4' energy: -39.384
flat angles P-C4'-P energy: -19.539
tors. eta vs tors. theta energy: -3.754
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: 10, replica: 8
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -227.263426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.263426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.263426 (E_RNA)
where:
Base-Base interactions energy: -93.063
where: short stacking energy: -54.144
Base-Backbone interact. energy: 1.583
local terms energy: -135.783273
where:
bonds (distance) C4'-P energy: -41.386
bonds (distance) P-C4' energy: -46.594
flat angles C4'-P-C4' energy: -48.270
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: 11.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -956.310378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.310378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.310378 (E_RNA)
where:
Base-Base interactions energy: -667.561
where: short stacking energy: -270.622
Base-Backbone interact. energy: -0.902
local terms energy: -287.846759
where:
bonds (distance) C4'-P energy: -47.395
bonds (distance) P-C4' energy: -47.390
flat angles C4'-P-C4' energy: -63.641
flat angles P-C4'-P energy: -41.796
tors. eta vs tors. theta energy: -87.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -909.042365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.042365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.042365 (E_RNA)
where:
Base-Base interactions energy: -620.362
where: short stacking energy: -249.122
Base-Backbone interact. energy: -0.623
local terms energy: -288.057586
where:
bonds (distance) C4'-P energy: -56.091
bonds (distance) P-C4' energy: -56.174
flat angles C4'-P-C4' energy: -57.227
flat angles P-C4'-P energy: -42.862
tors. eta vs tors. theta energy: -75.703
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: 214
Temperature: 1.000000
Total energy: -891.052854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.052854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.052854 (E_RNA)
where:
Base-Base interactions energy: -612.730
where: short stacking energy: -264.995
Base-Backbone interact. energy: -3.608
local terms energy: -274.714960
where:
bonds (distance) C4'-P energy: -52.874
bonds (distance) P-C4' energy: -57.008
flat angles C4'-P-C4' energy: -56.690
flat angles P-C4'-P energy: -34.261
tors. eta vs tors. theta energy: -73.882
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: 1
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -841.787538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.787538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.787538 (E_RNA)
where:
Base-Base interactions energy: -584.349
where: short stacking energy: -230.047
Base-Backbone interact. energy: -2.102
local terms energy: -255.336012
where:
bonds (distance) C4'-P energy: -53.184
bonds (distance) P-C4' energy: -53.900
flat angles C4'-P-C4' energy: -49.100
flat angles P-C4'-P energy: -30.519
tors. eta vs tors. theta energy: -68.634
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: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -762.643739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.643739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.643739 (E_RNA)
where:
Base-Base interactions energy: -534.607
where: short stacking energy: -221.300
Base-Backbone interact. energy: -0.923
local terms energy: -227.114394
where:
bonds (distance) C4'-P energy: -38.708
bonds (distance) P-C4' energy: -36.587
flat angles C4'-P-C4' energy: -54.450
flat angles P-C4'-P energy: -33.555
tors. eta vs tors. theta energy: -63.815
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: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -787.157359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.157359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.157359 (E_RNA)
where:
Base-Base interactions energy: -548.330
where: short stacking energy: -222.935
Base-Backbone interact. energy: -2.234
local terms energy: -236.593356
where:
bonds (distance) C4'-P energy: -37.412
bonds (distance) P-C4' energy: -43.399
flat angles C4'-P-C4' energy: -54.193
flat angles P-C4'-P energy: -37.625
tors. eta vs tors. theta energy: -63.965
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: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -651.311653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.311653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.311653 (E_RNA)
where:
Base-Base interactions energy: -442.519
where: short stacking energy: -182.035
Base-Backbone interact. energy: -0.967
local terms energy: -207.825108
where:
bonds (distance) C4'-P energy: -43.588
bonds (distance) P-C4' energy: -48.152
flat angles C4'-P-C4' energy: -46.580
flat angles P-C4'-P energy: -36.416
tors. eta vs tors. theta energy: -33.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -443.562673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.562673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.562673 (E_RNA)
where:
Base-Base interactions energy: -256.591
where: short stacking energy: -130.446
Base-Backbone interact. energy: 0.003
local terms energy: -186.974475
where:
bonds (distance) C4'-P energy: -48.739
bonds (distance) P-C4' energy: -54.300
flat angles C4'-P-C4' energy: -37.919
flat angles P-C4'-P energy: -29.100
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -246.024085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.024085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.024085 (E_RNA)
where:
Base-Base interactions energy: -90.547
where: short stacking energy: -67.957
Base-Backbone interact. energy: 1.681
local terms energy: -157.157862
where:
bonds (distance) C4'-P energy: -42.735
bonds (distance) P-C4' energy: -47.694
flat angles C4'-P-C4' energy: -46.140
flat angles P-C4'-P energy: -25.424
tors. eta vs tors. theta energy: 4.836
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: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -245.363833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.363833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.363833 (E_RNA)
where:
Base-Base interactions energy: -96.513
where: short stacking energy: -79.761
Base-Backbone interact. energy: -0.503
local terms energy: -148.347743
where:
bonds (distance) C4'-P energy: -36.096
bonds (distance) P-C4' energy: -50.836
flat angles C4'-P-C4' energy: -42.938
flat angles P-C4'-P energy: -22.783
tors. eta vs tors. theta energy: 4.306
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: 1, replica: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -948.614009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.614009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.614009 (E_RNA)
where:
Base-Base interactions energy: -662.065
where: short stacking energy: -279.292
Base-Backbone interact. energy: -1.715
local terms energy: -284.833942
where:
bonds (distance) C4'-P energy: -45.361
bonds (distance) P-C4' energy: -52.052
flat angles C4'-P-C4' energy: -57.132
flat angles P-C4'-P energy: -45.895
tors. eta vs tors. theta energy: -84.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -928.490769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.490769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.490769 (E_RNA)
where:
Base-Base interactions energy: -651.062
where: short stacking energy: -259.615
Base-Backbone interact. energy: -0.026
local terms energy: -277.402505
where:
bonds (distance) C4'-P energy: -56.083
bonds (distance) P-C4' energy: -39.598
flat angles C4'-P-C4' energy: -57.216
flat angles P-C4'-P energy: -45.374
tors. eta vs tors. theta energy: -79.131
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: 6
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -842.280093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.280093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.280093 (E_RNA)
where:
Base-Base interactions energy: -593.045
where: short stacking energy: -241.733
Base-Backbone interact. energy: -2.910
local terms energy: -246.325502
where:
bonds (distance) C4'-P energy: -38.211
bonds (distance) P-C4' energy: -49.673
flat angles C4'-P-C4' energy: -55.484
flat angles P-C4'-P energy: -35.452
tors. eta vs tors. theta energy: -67.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -877.888564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.888564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.888564 (E_RNA)
where:
Base-Base interactions energy: -610.976
where: short stacking energy: -228.855
Base-Backbone interact. energy: 0.454
local terms energy: -267.366021
where:
bonds (distance) C4'-P energy: -51.447
bonds (distance) P-C4' energy: -55.648
flat angles C4'-P-C4' energy: -51.005
flat angles P-C4'-P energy: -41.210
tors. eta vs tors. theta energy: -68.055
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: 5, replica: 7
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -770.317258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.317258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.317258 (E_RNA)
where:
Base-Base interactions energy: -524.307
where: short stacking energy: -227.778
Base-Backbone interact. energy: -0.718
local terms energy: -245.292141
where:
bonds (distance) C4'-P energy: -49.255
bonds (distance) P-C4' energy: -45.778
flat angles C4'-P-C4' energy: -55.452
flat angles P-C4'-P energy: -28.535
tors. eta vs tors. theta energy: -66.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -812.203428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.203428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.203428 (E_RNA)
where:
Base-Base interactions energy: -576.267
where: short stacking energy: -244.419
Base-Backbone interact. energy: -4.172
local terms energy: -231.764873
where:
bonds (distance) C4'-P energy: -37.379
bonds (distance) P-C4' energy: -43.776
flat angles C4'-P-C4' energy: -49.792
flat angles P-C4'-P energy: -35.579
tors. eta vs tors. theta energy: -65.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -691.253052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.253052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.253052 (E_RNA)
where:
Base-Base interactions energy: -473.109
where: short stacking energy: -212.786
Base-Backbone interact. energy: -1.219
local terms energy: -216.925703
where:
bonds (distance) C4'-P energy: -44.359
bonds (distance) P-C4' energy: -38.829
flat angles C4'-P-C4' energy: -52.860
flat angles P-C4'-P energy: -31.387
tors. eta vs tors. theta energy: -49.490
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: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -431.713008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.713008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.713008 (E_RNA)
where:
Base-Base interactions energy: -250.624
where: short stacking energy: -120.934
Base-Backbone interact. energy: -2.491
local terms energy: -178.597988
where:
bonds (distance) C4'-P energy: -53.454
bonds (distance) P-C4' energy: -51.900
flat angles C4'-P-C4' energy: -35.648
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -18.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -249.501427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.501427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.501427 (E_RNA)
where:
Base-Base interactions energy: -88.373
where: short stacking energy: -82.785
Base-Backbone interact. energy: -0.416
local terms energy: -160.712202
where:
bonds (distance) C4'-P energy: -43.606
bonds (distance) P-C4' energy: -56.367
flat angles C4'-P-C4' energy: -32.087
flat angles P-C4'-P energy: -26.046
tors. eta vs tors. theta energy: -2.605
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: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -237.132179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.132179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.132179 (E_RNA)
where:
Base-Base interactions energy: -62.506
where: short stacking energy: -54.423
Base-Backbone interact. energy: -0.845
local terms energy: -173.780995
where:
bonds (distance) C4'-P energy: -47.363
bonds (distance) P-C4' energy: -53.125
flat angles C4'-P-C4' energy: -38.907
flat angles P-C4'-P energy: -35.801
tors. eta vs tors. theta energy: 1.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -937.820828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.820828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.820828 (E_RNA)
where:
Base-Base interactions energy: -656.328
where: short stacking energy: -279.223
Base-Backbone interact. energy: 0.506
local terms energy: -281.999373
where:
bonds (distance) C4'-P energy: -45.020
bonds (distance) P-C4' energy: -54.474
flat angles C4'-P-C4' energy: -61.904
flat angles P-C4'-P energy: -41.035
tors. eta vs tors. theta energy: -79.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -928.929931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.929931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.929931 (E_RNA)
where:
Base-Base interactions energy: -640.828
where: short stacking energy: -265.963
Base-Backbone interact. energy: 0.464
local terms energy: -288.565893
where:
bonds (distance) C4'-P energy: -52.519
bonds (distance) P-C4' energy: -51.912
flat angles C4'-P-C4' energy: -60.413
flat angles P-C4'-P energy: -43.626
tors. eta vs tors. theta energy: -80.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -871.341164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.341164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.341164 (E_RNA)
where:
Base-Base interactions energy: -611.152
where: short stacking energy: -259.605
Base-Backbone interact. energy: -0.350
local terms energy: -259.839506
where:
bonds (distance) C4'-P energy: -47.456
bonds (distance) P-C4' energy: -49.086
flat angles C4'-P-C4' energy: -57.604
flat angles P-C4'-P energy: -38.514
tors. eta vs tors. theta energy: -67.179
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: 1
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -839.520524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.520524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.520524 (E_RNA)
where:
Base-Base interactions energy: -585.360
where: short stacking energy: -246.840
Base-Backbone interact. energy: -1.947
local terms energy: -252.213680
where:
bonds (distance) C4'-P energy: -37.679
bonds (distance) P-C4' energy: -49.317
flat angles C4'-P-C4' energy: -56.304
flat angles P-C4'-P energy: -38.239
tors. eta vs tors. theta energy: -70.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -797.653055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.653055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.653055 (E_RNA)
where:
Base-Base interactions energy: -544.547
where: short stacking energy: -213.647
Base-Backbone interact. energy: 0.536
local terms energy: -253.641725
where:
bonds (distance) C4'-P energy: -50.705
bonds (distance) P-C4' energy: -46.146
flat angles C4'-P-C4' energy: -54.241
flat angles P-C4'-P energy: -41.405
tors. eta vs tors. theta energy: -61.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -746.799403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.799403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.799403 (E_RNA)
where:
Base-Base interactions energy: -494.882
where: short stacking energy: -216.345
Base-Backbone interact. energy: 0.092
local terms energy: -252.009116
where:
bonds (distance) C4'-P energy: -47.636
bonds (distance) P-C4' energy: -43.617
flat angles C4'-P-C4' energy: -59.402
flat angles P-C4'-P energy: -35.453
tors. eta vs tors. theta energy: -65.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -662.492761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.492761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.492761 (E_RNA)
where:
Base-Base interactions energy: -460.393
where: short stacking energy: -180.249
Base-Backbone interact. energy: -0.730
local terms energy: -201.370082
where:
bonds (distance) C4'-P energy: -44.130
bonds (distance) P-C4' energy: -42.360
flat angles C4'-P-C4' energy: -45.285
flat angles P-C4'-P energy: -31.591
tors. eta vs tors. theta energy: -38.004
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: 4
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -446.880115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.880115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.880115 (E_RNA)
where:
Base-Base interactions energy: -249.374
where: short stacking energy: -113.572
Base-Backbone interact. energy: -0.838
local terms energy: -196.668222
where:
bonds (distance) C4'-P energy: -54.642
bonds (distance) P-C4' energy: -50.102
flat angles C4'-P-C4' energy: -41.961
flat angles P-C4'-P energy: -34.967
tors. eta vs tors. theta energy: -14.996
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: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -232.362273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.362273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.362273 (E_RNA)
where:
Base-Base interactions energy: -83.062
where: short stacking energy: -60.128
Base-Backbone interact. energy: -0.405
local terms energy: -148.895739
where:
bonds (distance) C4'-P energy: -42.180
bonds (distance) P-C4' energy: -41.944
flat angles C4'-P-C4' energy: -41.821
flat angles P-C4'-P energy: -24.969
tors. eta vs tors. theta energy: 2.018
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: 216
Temperature: 1.350000
Total energy: -235.750921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.750921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.750921 (E_RNA)
where:
Base-Base interactions energy: -88.073
where: short stacking energy: -74.568
Base-Backbone interact. energy: 1.999
local terms energy: -149.677584
where:
bonds (distance) C4'-P energy: -43.519
bonds (distance) P-C4' energy: -43.449
flat angles C4'-P-C4' energy: -27.702
flat angles P-C4'-P energy: -22.749
tors. eta vs tors. theta energy: -12.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -948.979808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.979808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.979808 (E_RNA)
where:
Base-Base interactions energy: -648.680
where: short stacking energy: -280.846
Base-Backbone interact. energy: -2.191
local terms energy: -298.108801
where:
bonds (distance) C4'-P energy: -58.282
bonds (distance) P-C4' energy: -55.494
flat angles C4'-P-C4' energy: -58.365
flat angles P-C4'-P energy: -41.580
tors. eta vs tors. theta energy: -84.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -934.354623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.354623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.354623 (E_RNA)
where:
Base-Base interactions energy: -651.853
where: short stacking energy: -277.143
Base-Backbone interact. energy: -1.577
local terms energy: -280.925082
where:
bonds (distance) C4'-P energy: -50.714
bonds (distance) P-C4' energy: -43.518
flat angles C4'-P-C4' energy: -58.796
flat angles P-C4'-P energy: -41.088
tors. eta vs tors. theta energy: -86.808
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: 217
Temperature: 1.000000
Total energy: -881.310447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.310447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.310447 (E_RNA)
where:
Base-Base interactions energy: -596.443
where: short stacking energy: -256.680
Base-Backbone interact. energy: -1.250
local terms energy: -283.617405
where:
bonds (distance) C4'-P energy: -55.031
bonds (distance) P-C4' energy: -62.247
flat angles C4'-P-C4' energy: -51.358
flat angles P-C4'-P energy: -40.494
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: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -816.234673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.234673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.234673 (E_RNA)
where:
Base-Base interactions energy: -557.135
where: short stacking energy: -216.714
Base-Backbone interact. energy: -2.733
local terms energy: -256.366404
where:
bonds (distance) C4'-P energy: -50.604
bonds (distance) P-C4' energy: -47.938
flat angles C4'-P-C4' energy: -52.757
flat angles P-C4'-P energy: -37.113
tors. eta vs tors. theta energy: -67.955
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: 217
Temperature: 1.100000
Total energy: -831.995875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.995875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.995875 (E_RNA)
where:
Base-Base interactions energy: -593.500
where: short stacking energy: -234.968
Base-Backbone interact. energy: 5.251
local terms energy: -243.746417
where:
bonds (distance) C4'-P energy: -42.825
bonds (distance) P-C4' energy: -38.675
flat angles C4'-P-C4' energy: -48.075
flat angles P-C4'-P energy: -39.228
tors. eta vs tors. theta energy: -74.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -724.905635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.905635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.905635 (E_RNA)
where:
Base-Base interactions energy: -488.963
where: short stacking energy: -207.395
Base-Backbone interact. energy: -1.192
local terms energy: -234.750951
where:
bonds (distance) C4'-P energy: -43.087
bonds (distance) P-C4' energy: -49.755
flat angles C4'-P-C4' energy: -55.615
flat angles P-C4'-P energy: -31.154
tors. eta vs tors. theta energy: -55.139
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: 10
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -648.183871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.183871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.183871 (E_RNA)
where:
Base-Base interactions energy: -437.541
where: short stacking energy: -166.050
Base-Backbone interact. energy: -1.109
local terms energy: -209.534729
where:
bonds (distance) C4'-P energy: -45.334
bonds (distance) P-C4' energy: -39.322
flat angles C4'-P-C4' energy: -50.152
flat angles P-C4'-P energy: -36.168
tors. eta vs tors. theta energy: -38.559
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: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -441.805201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.805201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.805201 (E_RNA)
where:
Base-Base interactions energy: -250.820
where: short stacking energy: -133.164
Base-Backbone interact. energy: 0.138
local terms energy: -191.123308
where:
bonds (distance) C4'-P energy: -46.437
bonds (distance) P-C4' energy: -44.495
flat angles C4'-P-C4' energy: -45.223
flat angles P-C4'-P energy: -35.213
tors. eta vs tors. theta energy: -19.755
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: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -302.225020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.225020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.225020 (E_RNA)
where:
Base-Base interactions energy: -135.730
where: short stacking energy: -98.598
Base-Backbone interact. energy: 0.512
local terms energy: -167.006755
where:
bonds (distance) C4'-P energy: -37.335
bonds (distance) P-C4' energy: -43.776
flat angles C4'-P-C4' energy: -40.030
flat angles P-C4'-P energy: -34.067
tors. eta vs tors. theta energy: -11.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -225.166430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.166430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.166430 (E_RNA)
where:
Base-Base interactions energy: -75.495
where: short stacking energy: -67.602
Base-Backbone interact. energy: -0.738
local terms energy: -148.933183
where:
bonds (distance) C4'-P energy: -52.898
bonds (distance) P-C4' energy: -35.113
flat angles C4'-P-C4' energy: -45.163
flat angles P-C4'-P energy: -21.957
tors. eta vs tors. theta energy: 6.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -937.835485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.835485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.835485 (E_RNA)
where:
Base-Base interactions energy: -649.597
where: short stacking energy: -289.930
Base-Backbone interact. energy: 2.241
local terms energy: -290.478978
where:
bonds (distance) C4'-P energy: -53.706
bonds (distance) P-C4' energy: -44.038
flat angles C4'-P-C4' energy: -64.767
flat angles P-C4'-P energy: -43.351
tors. eta vs tors. theta energy: -84.616
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: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -946.309041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.309041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.309041 (E_RNA)
where:
Base-Base interactions energy: -657.474
where: short stacking energy: -269.182
Base-Backbone interact. energy: -2.135
local terms energy: -286.699742
where:
bonds (distance) C4'-P energy: -48.991
bonds (distance) P-C4' energy: -52.055
flat angles C4'-P-C4' energy: -63.005
flat angles P-C4'-P energy: -42.694
tors. eta vs tors. theta energy: -79.954
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: 218
Temperature: 1.000000
Total energy: -878.087059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.087059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.087059 (E_RNA)
where:
Base-Base interactions energy: -595.463
where: short stacking energy: -264.790
Base-Backbone interact. energy: 2.569
local terms energy: -285.192627
where:
bonds (distance) C4'-P energy: -50.918
bonds (distance) P-C4' energy: -52.017
flat angles C4'-P-C4' energy: -57.990
flat angles P-C4'-P energy: -46.620
tors. eta vs tors. theta energy: -77.648
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: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -828.135785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.135785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.135785 (E_RNA)
where:
Base-Base interactions energy: -581.227
where: short stacking energy: -242.280
Base-Backbone interact. energy: -1.864
local terms energy: -245.044768
where:
bonds (distance) C4'-P energy: -42.014
bonds (distance) P-C4' energy: -50.411
flat angles C4'-P-C4' energy: -54.786
flat angles P-C4'-P energy: -31.131
tors. eta vs tors. theta energy: -66.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -802.727756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.727756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.727756 (E_RNA)
where:
Base-Base interactions energy: -562.673
where: short stacking energy: -206.936
Base-Backbone interact. energy: -2.368
local terms energy: -237.686754
where:
bonds (distance) C4'-P energy: -53.534
bonds (distance) P-C4' energy: -46.064
flat angles C4'-P-C4' energy: -58.323
flat angles P-C4'-P energy: -28.164
tors. eta vs tors. theta energy: -51.602
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: 6, replica: 7
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -675.131244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.131244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.131244 (E_RNA)
where:
Base-Base interactions energy: -460.293
where: short stacking energy: -204.715
Base-Backbone interact. energy: -0.548
local terms energy: -214.290858
where:
bonds (distance) C4'-P energy: -41.000
bonds (distance) P-C4' energy: -42.405
flat angles C4'-P-C4' energy: -50.882
flat angles P-C4'-P energy: -34.802
tors. eta vs tors. theta energy: -45.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -677.342255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.342255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.342255 (E_RNA)
where:
Base-Base interactions energy: -458.024
where: short stacking energy: -193.496
Base-Backbone interact. energy: 1.770
local terms energy: -221.087589
where:
bonds (distance) C4'-P energy: -48.048
bonds (distance) P-C4' energy: -41.204
flat angles C4'-P-C4' energy: -57.033
flat angles P-C4'-P energy: -29.028
tors. eta vs tors. theta energy: -45.774
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: 4
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -440.876888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.876888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.876888 (E_RNA)
where:
Base-Base interactions energy: -272.655
where: short stacking energy: -144.922
Base-Backbone interact. energy: 3.441
local terms energy: -171.662933
where:
bonds (distance) C4'-P energy: -45.513
bonds (distance) P-C4' energy: -47.217
flat angles C4'-P-C4' energy: -27.187
flat angles P-C4'-P energy: -27.948
tors. eta vs tors. theta energy: -23.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -282.586511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.586511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.586511 (E_RNA)
where:
Base-Base interactions energy: -97.735
where: short stacking energy: -85.199
Base-Backbone interact. energy: -1.092
local terms energy: -183.759618
where:
bonds (distance) C4'-P energy: -49.193
bonds (distance) P-C4' energy: -47.482
flat angles C4'-P-C4' energy: -46.359
flat angles P-C4'-P energy: -29.150
tors. eta vs tors. theta energy: -11.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -246.557383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.557383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.557383 (E_RNA)
where:
Base-Base interactions energy: -105.202
where: short stacking energy: -80.715
Base-Backbone interact. energy: -1.094
local terms energy: -140.261305
where:
bonds (distance) C4'-P energy: -39.234
bonds (distance) P-C4' energy: -44.013
flat angles C4'-P-C4' energy: -46.176
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: 3.796
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: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -939.292973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.292973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.292973 (E_RNA)
where:
Base-Base interactions energy: -627.514
where: short stacking energy: -272.152
Base-Backbone interact. energy: -2.168
local terms energy: -309.610944
where:
bonds (distance) C4'-P energy: -55.527
bonds (distance) P-C4' energy: -55.064
flat angles C4'-P-C4' energy: -60.896
flat angles P-C4'-P energy: -51.863
tors. eta vs tors. theta energy: -86.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -953.531850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.531850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.531850 (E_RNA)
where:
Base-Base interactions energy: -666.124
where: short stacking energy: -274.666
Base-Backbone interact. energy: 1.063
local terms energy: -288.471581
where:
bonds (distance) C4'-P energy: -50.821
bonds (distance) P-C4' energy: -52.428
flat angles C4'-P-C4' energy: -57.252
flat angles P-C4'-P energy: -43.055
tors. eta vs tors. theta energy: -84.915
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: 219
Temperature: 1.000000
Total energy: -895.206518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.206518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.206518 (E_RNA)
where:
Base-Base interactions energy: -599.747
where: short stacking energy: -265.569
Base-Backbone interact. energy: -2.454
local terms energy: -293.005315
where:
bonds (distance) C4'-P energy: -52.856
bonds (distance) P-C4' energy: -50.240
flat angles C4'-P-C4' energy: -65.120
flat angles P-C4'-P energy: -43.118
tors. eta vs tors. theta energy: -81.671
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: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -824.960938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.960938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.960938 (E_RNA)
where:
Base-Base interactions energy: -572.280
where: short stacking energy: -227.160
Base-Backbone interact. energy: -0.848
local terms energy: -251.832925
where:
bonds (distance) C4'-P energy: -51.441
bonds (distance) P-C4' energy: -50.527
flat angles C4'-P-C4' energy: -55.496
flat angles P-C4'-P energy: -31.029
tors. eta vs tors. theta energy: -63.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -808.359765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.359765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.359765 (E_RNA)
where:
Base-Base interactions energy: -565.652
where: short stacking energy: -230.223
Base-Backbone interact. energy: -1.106
local terms energy: -241.601448
where:
bonds (distance) C4'-P energy: -45.240
bonds (distance) P-C4' energy: -46.972
flat angles C4'-P-C4' energy: -56.502
flat angles P-C4'-P energy: -32.008
tors. eta vs tors. theta energy: -60.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -720.836241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.836241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.836241 (E_RNA)
where:
Base-Base interactions energy: -468.849
where: short stacking energy: -197.195
Base-Backbone interact. energy: -1.510
local terms energy: -250.477042
where:
bonds (distance) C4'-P energy: -46.818
bonds (distance) P-C4' energy: -51.197
flat angles C4'-P-C4' energy: -47.918
flat angles P-C4'-P energy: -39.172
tors. eta vs tors. theta energy: -65.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -657.807503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.807503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.807503 (E_RNA)
where:
Base-Base interactions energy: -446.470
where: short stacking energy: -195.910
Base-Backbone interact. energy: 3.938
local terms energy: -215.275987
where:
bonds (distance) C4'-P energy: -45.872
bonds (distance) P-C4' energy: -50.222
flat angles C4'-P-C4' energy: -52.707
flat angles P-C4'-P energy: -25.779
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: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -412.260061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.260061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.260061 (E_RNA)
where:
Base-Base interactions energy: -244.553
where: short stacking energy: -134.315
Base-Backbone interact. energy: -1.949
local terms energy: -165.757799
where:
bonds (distance) C4'-P energy: -42.166
bonds (distance) P-C4' energy: -50.162
flat angles C4'-P-C4' energy: -36.824
flat angles P-C4'-P energy: -24.546
tors. eta vs tors. theta energy: -12.060
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: 8
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -245.273351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.273351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.273351 (E_RNA)
where:
Base-Base interactions energy: -85.526
where: short stacking energy: -77.725
Base-Backbone interact. energy: -0.144
local terms energy: -159.602868
where:
bonds (distance) C4'-P energy: -33.412
bonds (distance) P-C4' energy: -54.538
flat angles C4'-P-C4' energy: -44.303
flat angles P-C4'-P energy: -29.050
tors. eta vs tors. theta energy: 1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -238.901953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.901953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.901953 (E_RNA)
where:
Base-Base interactions energy: -86.702
where: short stacking energy: -65.298
Base-Backbone interact. energy: 1.665
local terms energy: -153.865070
where:
bonds (distance) C4'-P energy: -39.945
bonds (distance) P-C4' energy: -45.158
flat angles C4'-P-C4' energy: -51.605
flat angles P-C4'-P energy: -24.262
tors. eta vs tors. theta energy: 7.105
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: 1, replica: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -960.947302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.947302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.947302 (E_RNA)
where:
Base-Base interactions energy: -662.131
where: short stacking energy: -270.867
Base-Backbone interact. energy: -1.881
local terms energy: -296.935626
where:
bonds (distance) C4'-P energy: -56.201
bonds (distance) P-C4' energy: -56.458
flat angles C4'-P-C4' energy: -56.005
flat angles P-C4'-P energy: -45.032
tors. eta vs tors. theta energy: -83.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -908.685895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.685895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.685895 (E_RNA)
where:
Base-Base interactions energy: -629.262
where: short stacking energy: -263.653
Base-Backbone interact. energy: -1.287
local terms energy: -278.137239
where:
bonds (distance) C4'-P energy: -46.966
bonds (distance) P-C4' energy: -46.311
flat angles C4'-P-C4' energy: -55.584
flat angles P-C4'-P energy: -45.944
tors. eta vs tors. theta energy: -83.332
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: 6
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -877.462981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.462981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.462981 (E_RNA)
where:
Base-Base interactions energy: -606.065
where: short stacking energy: -261.575
Base-Backbone interact. energy: -1.796
local terms energy: -269.601405
where:
bonds (distance) C4'-P energy: -48.102
bonds (distance) P-C4' energy: -50.494
flat angles C4'-P-C4' energy: -57.922
flat angles P-C4'-P energy: -33.909
tors. eta vs tors. theta energy: -79.175
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: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -845.430629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.430629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.430629 (E_RNA)
where:
Base-Base interactions energy: -574.956
where: short stacking energy: -241.861
Base-Backbone interact. energy: -0.348
local terms energy: -270.127053
where:
bonds (distance) C4'-P energy: -57.214
bonds (distance) P-C4' energy: -52.775
flat angles C4'-P-C4' energy: -54.432
flat angles P-C4'-P energy: -38.229
tors. eta vs tors. theta energy: -67.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -812.459404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.459404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.459404 (E_RNA)
where:
Base-Base interactions energy: -557.352
where: short stacking energy: -222.680
Base-Backbone interact. energy: 1.099
local terms energy: -256.205891
where:
bonds (distance) C4'-P energy: -48.561
bonds (distance) P-C4' energy: -53.298
flat angles C4'-P-C4' energy: -54.039
flat angles P-C4'-P energy: -33.207
tors. eta vs tors. theta energy: -67.102
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: 7
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -697.403406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.403406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.403406 (E_RNA)
where:
Base-Base interactions energy: -476.518
where: short stacking energy: -217.973
Base-Backbone interact. energy: 0.840
local terms energy: -221.725577
where:
bonds (distance) C4'-P energy: -38.809
bonds (distance) P-C4' energy: -39.994
flat angles C4'-P-C4' energy: -55.844
flat angles P-C4'-P energy: -22.565
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: 7, replica: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -641.713008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.713008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.713008 (E_RNA)
where:
Base-Base interactions energy: -435.056
where: short stacking energy: -182.533
Base-Backbone interact. energy: 6.421
local terms energy: -213.078366
where:
bonds (distance) C4'-P energy: -41.801
bonds (distance) P-C4' energy: -46.777
flat angles C4'-P-C4' energy: -43.645
flat angles P-C4'-P energy: -33.912
tors. eta vs tors. theta energy: -46.944
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: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -424.605304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.605304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.605304 (E_RNA)
where:
Base-Base interactions energy: -246.628
where: short stacking energy: -131.678
Base-Backbone interact. energy: 1.377
local terms energy: -179.354722
where:
bonds (distance) C4'-P energy: -44.809
bonds (distance) P-C4' energy: -53.920
flat angles C4'-P-C4' energy: -37.834
flat angles P-C4'-P energy: -26.911
tors. eta vs tors. theta energy: -15.881
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: 8
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -254.257406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.257406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.257406 (E_RNA)
where:
Base-Base interactions energy: -103.519
where: short stacking energy: -80.960
Base-Backbone interact. energy: -0.675
local terms energy: -150.063268
where:
bonds (distance) C4'-P energy: -35.053
bonds (distance) P-C4' energy: -50.352
flat angles C4'-P-C4' energy: -35.580
flat angles P-C4'-P energy: -27.198
tors. eta vs tors. theta energy: -1.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -218.567648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.567648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.567648 (E_RNA)
where:
Base-Base interactions energy: -78.616
where: short stacking energy: -52.778
Base-Backbone interact. energy: 1.747
local terms energy: -141.698597
where:
bonds (distance) C4'-P energy: -40.856
bonds (distance) P-C4' energy: -45.941
flat angles C4'-P-C4' energy: -40.489
flat angles P-C4'-P energy: -24.744
tors. eta vs tors. theta energy: 10.331
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: 5
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -972.384719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.384719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.384719 (E_RNA)
where:
Base-Base interactions energy: -675.608
where: short stacking energy: -284.223
Base-Backbone interact. energy: -1.498
local terms energy: -295.278855
where:
bonds (distance) C4'-P energy: -55.434
bonds (distance) P-C4' energy: -54.729
flat angles C4'-P-C4' energy: -62.874
flat angles P-C4'-P energy: -36.789
tors. eta vs tors. theta energy: -85.453
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: 3
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -930.028300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.028300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.028300 (E_RNA)
where:
Base-Base interactions energy: -664.545
where: short stacking energy: -268.911
Base-Backbone interact. energy: -1.810
local terms energy: -263.673086
where:
bonds (distance) C4'-P energy: -52.027
bonds (distance) P-C4' energy: -37.248
flat angles C4'-P-C4' energy: -55.920
flat angles P-C4'-P energy: -36.524
tors. eta vs tors. theta energy: -81.953
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: 6
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -852.293223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.293223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.293223 (E_RNA)
where:
Base-Base interactions energy: -581.402
where: short stacking energy: -255.410
Base-Backbone interact. energy: -2.795
local terms energy: -268.096949
where:
bonds (distance) C4'-P energy: -44.133
bonds (distance) P-C4' energy: -47.955
flat angles C4'-P-C4' energy: -57.374
flat angles P-C4'-P energy: -43.728
tors. eta vs tors. theta energy: -74.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -832.022261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.022261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.022261 (E_RNA)
where:
Base-Base interactions energy: -583.607
where: short stacking energy: -207.743
Base-Backbone interact. energy: -1.383
local terms energy: -247.031964
where:
bonds (distance) C4'-P energy: -47.919
bonds (distance) P-C4' energy: -46.694
flat angles C4'-P-C4' energy: -54.331
flat angles P-C4'-P energy: -38.703
tors. eta vs tors. theta energy: -59.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -816.361821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.361821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.361821 (E_RNA)
where:
Base-Base interactions energy: -576.585
where: short stacking energy: -225.673
Base-Backbone interact. energy: -0.522
local terms energy: -239.254098
where:
bonds (distance) C4'-P energy: -46.812
bonds (distance) P-C4' energy: -50.628
flat angles C4'-P-C4' energy: -49.301
flat angles P-C4'-P energy: -35.461
tors. eta vs tors. theta energy: -57.052
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: 7
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -720.843713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.843713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.843713 (E_RNA)
where:
Base-Base interactions energy: -483.443
where: short stacking energy: -202.594
Base-Backbone interact. energy: -1.341
local terms energy: -236.059742
where:
bonds (distance) C4'-P energy: -40.565
bonds (distance) P-C4' energy: -57.478
flat angles C4'-P-C4' energy: -50.522
flat angles P-C4'-P energy: -33.643
tors. eta vs tors. theta energy: -53.851
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: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -661.713574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.713574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.713574 (E_RNA)
where:
Base-Base interactions energy: -446.446
where: short stacking energy: -185.079
Base-Backbone interact. energy: -1.661
local terms energy: -213.606733
where:
bonds (distance) C4'-P energy: -44.102
bonds (distance) P-C4' energy: -29.657
flat angles C4'-P-C4' energy: -52.895
flat angles P-C4'-P energy: -39.294
tors. eta vs tors. theta energy: -47.660
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: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -410.593460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.593460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.593460 (E_RNA)
where:
Base-Base interactions energy: -217.907
where: short stacking energy: -115.136
Base-Backbone interact. energy: -1.548
local terms energy: -191.138615
where:
bonds (distance) C4'-P energy: -51.150
bonds (distance) P-C4' energy: -43.699
flat angles C4'-P-C4' energy: -45.755
flat angles P-C4'-P energy: -34.627
tors. eta vs tors. theta energy: -15.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -252.271497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.271497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.271497 (E_RNA)
where:
Base-Base interactions energy: -103.055
where: short stacking energy: -77.547
Base-Backbone interact. energy: -1.738
local terms energy: -147.478419
where:
bonds (distance) C4'-P energy: -33.796
bonds (distance) P-C4' energy: -52.094
flat angles C4'-P-C4' energy: -42.944
flat angles P-C4'-P energy: -24.767
tors. eta vs tors. theta energy: 6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -232.094155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.094155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.094155 (E_RNA)
where:
Base-Base interactions energy: -90.486
where: short stacking energy: -61.310
Base-Backbone interact. energy: -0.244
local terms energy: -141.364114
where:
bonds (distance) C4'-P energy: -51.169
bonds (distance) P-C4' energy: -47.635
flat angles C4'-P-C4' energy: -32.228
flat angles P-C4'-P energy: -19.947
tors. eta vs tors. theta energy: 9.615
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: 3
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -936.244165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.244165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.244165 (E_RNA)
where:
Base-Base interactions energy: -655.649
where: short stacking energy: -264.941
Base-Backbone interact. energy: -2.025
local terms energy: -278.570314
where:
bonds (distance) C4'-P energy: -48.900
bonds (distance) P-C4' energy: -55.456
flat angles C4'-P-C4' energy: -59.507
flat angles P-C4'-P energy: -43.061
tors. eta vs tors. theta energy: -71.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -949.367475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.367475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.367475 (E_RNA)
where:
Base-Base interactions energy: -660.742
where: short stacking energy: -274.215
Base-Backbone interact. energy: -1.525
local terms energy: -287.100497
where:
bonds (distance) C4'-P energy: -51.638
bonds (distance) P-C4' energy: -59.578
flat angles C4'-P-C4' energy: -55.156
flat angles P-C4'-P energy: -38.379
tors. eta vs tors. theta energy: -82.351
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: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -862.918157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.918157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.918157 (E_RNA)
where:
Base-Base interactions energy: -598.763
where: short stacking energy: -260.056
Base-Backbone interact. energy: -0.356
local terms energy: -263.799350
where:
bonds (distance) C4'-P energy: -39.674
bonds (distance) P-C4' energy: -48.079
flat angles C4'-P-C4' energy: -58.486
flat angles P-C4'-P energy: -41.283
tors. eta vs tors. theta energy: -76.278
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: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -839.586137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.586137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.586137 (E_RNA)
where:
Base-Base interactions energy: -587.498
where: short stacking energy: -231.606
Base-Backbone interact. energy: -1.942
local terms energy: -250.146256
where:
bonds (distance) C4'-P energy: -46.453
bonds (distance) P-C4' energy: -51.072
flat angles C4'-P-C4' energy: -51.379
flat angles P-C4'-P energy: -37.457
tors. eta vs tors. theta energy: -63.786
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: 222
Temperature: 1.100000
Total energy: -725.316963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.316963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.316963 (E_RNA)
where:
Base-Base interactions energy: -492.033
where: short stacking energy: -200.321
Base-Backbone interact. energy: -1.452
local terms energy: -231.831746
where:
bonds (distance) C4'-P energy: -50.739
bonds (distance) P-C4' energy: -46.251
flat angles C4'-P-C4' energy: -49.055
flat angles P-C4'-P energy: -30.238
tors. eta vs tors. theta energy: -55.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -789.844913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.844913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.844913 (E_RNA)
where:
Base-Base interactions energy: -542.890
where: short stacking energy: -207.108
Base-Backbone interact. energy: -1.167
local terms energy: -245.787748
where:
bonds (distance) C4'-P energy: -53.799
bonds (distance) P-C4' energy: -49.606
flat angles C4'-P-C4' energy: -50.452
flat angles P-C4'-P energy: -32.985
tors. eta vs tors. theta energy: -58.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -707.914075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.914075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.914075 (E_RNA)
where:
Base-Base interactions energy: -467.824
where: short stacking energy: -195.718
Base-Backbone interact. energy: -1.445
local terms energy: -238.644964
where:
bonds (distance) C4'-P energy: -49.399
bonds (distance) P-C4' energy: -42.538
flat angles C4'-P-C4' energy: -50.995
flat angles P-C4'-P energy: -40.779
tors. eta vs tors. theta energy: -54.934
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: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -410.353437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.353437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.353437 (E_RNA)
where:
Base-Base interactions energy: -231.342
where: short stacking energy: -113.239
Base-Backbone interact. energy: -1.477
local terms energy: -177.534772
where:
bonds (distance) C4'-P energy: -47.843
bonds (distance) P-C4' energy: -49.204
flat angles C4'-P-C4' energy: -46.087
flat angles P-C4'-P energy: -24.903
tors. eta vs tors. theta energy: -9.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -267.926241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.926241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.926241 (E_RNA)
where:
Base-Base interactions energy: -111.636
where: short stacking energy: -58.969
Base-Backbone interact. energy: 1.147
local terms energy: -157.437497
where:
bonds (distance) C4'-P energy: -45.141
bonds (distance) P-C4' energy: -54.877
flat angles C4'-P-C4' energy: -33.193
flat angles P-C4'-P energy: -29.564
tors. eta vs tors. theta energy: 5.337
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: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -232.379866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.379866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.379866 (E_RNA)
where:
Base-Base interactions energy: -86.542
where: short stacking energy: -65.026
Base-Backbone interact. energy: 0.515
local terms energy: -146.353206
where:
bonds (distance) C4'-P energy: -47.550
bonds (distance) P-C4' energy: -41.465
flat angles C4'-P-C4' energy: -34.108
flat angles P-C4'-P energy: -23.118
tors. eta vs tors. theta energy: -0.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -937.877236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.877236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.877236 (E_RNA)
where:
Base-Base interactions energy: -655.911
where: short stacking energy: -248.285
Base-Backbone interact. energy: 1.160
local terms energy: -283.125878
where:
bonds (distance) C4'-P energy: -43.684
bonds (distance) P-C4' energy: -56.334
flat angles C4'-P-C4' energy: -56.915
flat angles P-C4'-P energy: -46.036
tors. eta vs tors. theta energy: -80.157
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: 5
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -934.734379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.734379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.734379 (E_RNA)
where:
Base-Base interactions energy: -637.451
where: short stacking energy: -265.941
Base-Backbone interact. energy: 2.523
local terms energy: -299.806171
where:
bonds (distance) C4'-P energy: -51.019
bonds (distance) P-C4' energy: -59.300
flat angles C4'-P-C4' energy: -60.222
flat angles P-C4'-P energy: -43.345
tors. eta vs tors. theta energy: -85.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -848.637907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.637907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.637907 (E_RNA)
where:
Base-Base interactions energy: -588.978
where: short stacking energy: -255.694
Base-Backbone interact. energy: -1.272
local terms energy: -258.388127
where:
bonds (distance) C4'-P energy: -46.868
bonds (distance) P-C4' energy: -48.951
flat angles C4'-P-C4' energy: -53.196
flat angles P-C4'-P energy: -37.142
tors. eta vs tors. theta energy: -72.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -816.469305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.469305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.469305 (E_RNA)
where:
Base-Base interactions energy: -571.157
where: short stacking energy: -210.320
Base-Backbone interact. energy: -0.354
local terms energy: -244.958298
where:
bonds (distance) C4'-P energy: -50.846
bonds (distance) P-C4' energy: -46.392
flat angles C4'-P-C4' energy: -51.569
flat angles P-C4'-P energy: -39.355
tors. eta vs tors. theta energy: -56.796
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: 5, replica: 7
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -722.076382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.076382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.076382 (E_RNA)
where:
Base-Base interactions energy: -498.005
where: short stacking energy: -211.378
Base-Backbone interact. energy: -1.314
local terms energy: -222.757165
where:
bonds (distance) C4'-P energy: -49.974
bonds (distance) P-C4' energy: -47.849
flat angles C4'-P-C4' energy: -49.375
flat angles P-C4'-P energy: -19.425
tors. eta vs tors. theta energy: -56.134
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: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -769.410676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.410676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.410676 (E_RNA)
where:
Base-Base interactions energy: -522.581
where: short stacking energy: -206.568
Base-Backbone interact. energy: -0.611
local terms energy: -246.218380
where:
bonds (distance) C4'-P energy: -39.899
bonds (distance) P-C4' energy: -51.663
flat angles C4'-P-C4' energy: -53.735
flat angles P-C4'-P energy: -36.270
tors. eta vs tors. theta energy: -64.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -721.344848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.344848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.344848 (E_RNA)
where:
Base-Base interactions energy: -509.747
where: short stacking energy: -215.527
Base-Backbone interact. energy: -0.850
local terms energy: -210.748177
where:
bonds (distance) C4'-P energy: -29.165
bonds (distance) P-C4' energy: -45.538
flat angles C4'-P-C4' energy: -54.186
flat angles P-C4'-P energy: -23.693
tors. eta vs tors. theta energy: -58.167
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: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -433.296341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.296341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.296341 (E_RNA)
where:
Base-Base interactions energy: -254.495
where: short stacking energy: -130.994
Base-Backbone interact. energy: -1.623
local terms energy: -177.177685
where:
bonds (distance) C4'-P energy: -37.449
bonds (distance) P-C4' energy: -46.185
flat angles C4'-P-C4' energy: -44.934
flat angles P-C4'-P energy: -28.400
tors. eta vs tors. theta energy: -20.209
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: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -320.363409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.363409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.363409 (E_RNA)
where:
Base-Base interactions energy: -162.563
where: short stacking energy: -86.632
Base-Backbone interact. energy: 2.246
local terms energy: -160.046925
where:
bonds (distance) C4'-P energy: -41.666
bonds (distance) P-C4' energy: -47.779
flat angles C4'-P-C4' energy: -34.451
flat angles P-C4'-P energy: -29.993
tors. eta vs tors. theta energy: -6.159
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: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -227.664974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.664974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.664974 (E_RNA)
where:
Base-Base interactions energy: -82.351
where: short stacking energy: -78.613
Base-Backbone interact. energy: 3.523
local terms energy: -148.837025
where:
bonds (distance) C4'-P energy: -29.476
bonds (distance) P-C4' energy: -44.927
flat angles C4'-P-C4' energy: -31.244
flat angles P-C4'-P energy: -33.196
tors. eta vs tors. theta energy: -9.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -950.967332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.967332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.967332 (E_RNA)
where:
Base-Base interactions energy: -653.501
where: short stacking energy: -271.106
Base-Backbone interact. energy: -3.607
local terms energy: -293.859560
where:
bonds (distance) C4'-P energy: -52.225
bonds (distance) P-C4' energy: -59.443
flat angles C4'-P-C4' energy: -60.179
flat angles P-C4'-P energy: -38.012
tors. eta vs tors. theta energy: -84.000
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: 2, replica: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -938.277643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.277643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.277643 (E_RNA)
where:
Base-Base interactions energy: -651.182
where: short stacking energy: -259.451
Base-Backbone interact. energy: -1.737
local terms energy: -285.358278
where:
bonds (distance) C4'-P energy: -54.991
bonds (distance) P-C4' energy: -50.432
flat angles C4'-P-C4' energy: -59.546
flat angles P-C4'-P energy: -42.551
tors. eta vs tors. theta energy: -77.838
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: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -854.664939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.664939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.664939 (E_RNA)
where:
Base-Base interactions energy: -587.829
where: short stacking energy: -247.133
Base-Backbone interact. energy: -1.275
local terms energy: -265.560961
where:
bonds (distance) C4'-P energy: -55.460
bonds (distance) P-C4' energy: -50.930
flat angles C4'-P-C4' energy: -53.061
flat angles P-C4'-P energy: -35.501
tors. eta vs tors. theta energy: -70.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -833.051260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.051260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.051260 (E_RNA)
where:
Base-Base interactions energy: -577.941
where: short stacking energy: -244.651
Base-Backbone interact. energy: 1.629
local terms energy: -256.739124
where:
bonds (distance) C4'-P energy: -45.497
bonds (distance) P-C4' energy: -48.572
flat angles C4'-P-C4' energy: -61.539
flat angles P-C4'-P energy: -33.520
tors. eta vs tors. theta energy: -67.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -761.147784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.147784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.147784 (E_RNA)
where:
Base-Base interactions energy: -514.762
where: short stacking energy: -194.288
Base-Backbone interact. energy: -1.944
local terms energy: -244.441906
where:
bonds (distance) C4'-P energy: -39.395
bonds (distance) P-C4' energy: -52.444
flat angles C4'-P-C4' energy: -54.915
flat angles P-C4'-P energy: -36.788
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: 6, replica: 7
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -699.842025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.842025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.842025 (E_RNA)
where:
Base-Base interactions energy: -470.564
where: short stacking energy: -198.732
Base-Backbone interact. energy: -1.954
local terms energy: -227.324144
where:
bonds (distance) C4'-P energy: -48.030
bonds (distance) P-C4' energy: -47.893
flat angles C4'-P-C4' energy: -44.418
flat angles P-C4'-P energy: -33.937
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: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -715.888875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.888875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.888875 (E_RNA)
where:
Base-Base interactions energy: -495.185
where: short stacking energy: -201.920
Base-Backbone interact. energy: -0.368
local terms energy: -220.336060
where:
bonds (distance) C4'-P energy: -48.294
bonds (distance) P-C4' energy: -40.098
flat angles C4'-P-C4' energy: -50.613
flat angles P-C4'-P energy: -36.881
tors. eta vs tors. theta energy: -44.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -392.315089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.315089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.315089 (E_RNA)
where:
Base-Base interactions energy: -195.039
where: short stacking energy: -96.161
Base-Backbone interact. energy: -0.135
local terms energy: -197.141327
where:
bonds (distance) C4'-P energy: -53.574
bonds (distance) P-C4' energy: -46.501
flat angles C4'-P-C4' energy: -46.110
flat angles P-C4'-P energy: -29.724
tors. eta vs tors. theta energy: -21.232
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: 224
Temperature: 1.300000
Total energy: -279.063722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.063722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.063722 (E_RNA)
where:
Base-Base interactions energy: -107.047
where: short stacking energy: -73.136
Base-Backbone interact. energy: -0.940
local terms energy: -171.076492
where:
bonds (distance) C4'-P energy: -45.688
bonds (distance) P-C4' energy: -47.485
flat angles C4'-P-C4' energy: -36.526
flat angles P-C4'-P energy: -34.193
tors. eta vs tors. theta energy: -7.185
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: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -230.980852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.980852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.980852 (E_RNA)
where:
Base-Base interactions energy: -86.379
where: short stacking energy: -78.852
Base-Backbone interact. energy: -2.364
local terms energy: -142.237891
where:
bonds (distance) C4'-P energy: -47.464
bonds (distance) P-C4' energy: -44.059
flat angles C4'-P-C4' energy: -31.175
flat angles P-C4'-P energy: -21.030
tors. eta vs tors. theta energy: 1.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -955.417656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.417656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.417656 (E_RNA)
where:
Base-Base interactions energy: -667.288
where: short stacking energy: -278.259
Base-Backbone interact. energy: -1.759
local terms energy: -286.370124
where:
bonds (distance) C4'-P energy: -50.664
bonds (distance) P-C4' energy: -50.509
flat angles C4'-P-C4' energy: -62.782
flat angles P-C4'-P energy: -43.146
tors. eta vs tors. theta energy: -79.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -934.540485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.540485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.540485 (E_RNA)
where:
Base-Base interactions energy: -650.863
where: short stacking energy: -267.555
Base-Backbone interact. energy: -3.722
local terms energy: -279.954983
where:
bonds (distance) C4'-P energy: -43.364
bonds (distance) P-C4' energy: -55.808
flat angles C4'-P-C4' energy: -63.755
flat angles P-C4'-P energy: -39.815
tors. eta vs tors. theta energy: -77.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -863.274525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.274525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.274525 (E_RNA)
where:
Base-Base interactions energy: -601.161
where: short stacking energy: -246.780
Base-Backbone interact. energy: 2.004
local terms energy: -264.117554
where:
bonds (distance) C4'-P energy: -48.273
bonds (distance) P-C4' energy: -53.072
flat angles C4'-P-C4' energy: -57.367
flat angles P-C4'-P energy: -34.469
tors. eta vs tors. theta energy: -70.936
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: 1
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -793.542469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.542469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.542469 (E_RNA)
where:
Base-Base interactions energy: -547.722
where: short stacking energy: -219.469
Base-Backbone interact. energy: 0.007
local terms energy: -245.828093
where:
bonds (distance) C4'-P energy: -42.233
bonds (distance) P-C4' energy: -45.347
flat angles C4'-P-C4' energy: -54.337
flat angles P-C4'-P energy: -40.228
tors. eta vs tors. theta energy: -63.684
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: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -808.453305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.453305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.453305 (E_RNA)
where:
Base-Base interactions energy: -552.607
where: short stacking energy: -241.292
Base-Backbone interact. energy: -0.974
local terms energy: -254.871587
where:
bonds (distance) C4'-P energy: -44.105
bonds (distance) P-C4' energy: -52.129
flat angles C4'-P-C4' energy: -50.205
flat angles P-C4'-P energy: -42.923
tors. eta vs tors. theta energy: -65.509
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: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -755.150027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.150027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.150027 (E_RNA)
where:
Base-Base interactions energy: -510.175
where: short stacking energy: -222.743
Base-Backbone interact. energy: -0.409
local terms energy: -244.566394
where:
bonds (distance) C4'-P energy: -41.054
bonds (distance) P-C4' energy: -45.670
flat angles C4'-P-C4' energy: -54.874
flat angles P-C4'-P energy: -39.651
tors. eta vs tors. theta energy: -63.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -658.338651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.338651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.338651 (E_RNA)
where:
Base-Base interactions energy: -428.813
where: short stacking energy: -196.273
Base-Backbone interact. energy: -1.336
local terms energy: -228.189669
where:
bonds (distance) C4'-P energy: -45.446
bonds (distance) P-C4' energy: -52.926
flat angles C4'-P-C4' energy: -43.313
flat angles P-C4'-P energy: -37.081
tors. eta vs tors. theta energy: -49.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -384.845697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.845697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.845697 (E_RNA)
where:
Base-Base interactions energy: -215.055
where: short stacking energy: -115.364
Base-Backbone interact. energy: 0.997
local terms energy: -170.787247
where:
bonds (distance) C4'-P energy: -42.359
bonds (distance) P-C4' energy: -49.298
flat angles C4'-P-C4' energy: -38.625
flat angles P-C4'-P energy: -26.111
tors. eta vs tors. theta energy: -14.395
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: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -283.756198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.756198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.756198 (E_RNA)
where:
Base-Base interactions energy: -117.462
where: short stacking energy: -83.688
Base-Backbone interact. energy: -0.414
local terms energy: -165.879620
where:
bonds (distance) C4'-P energy: -33.736
bonds (distance) P-C4' energy: -47.056
flat angles C4'-P-C4' energy: -40.135
flat angles P-C4'-P energy: -35.502
tors. eta vs tors. theta energy: -9.451
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: 225
Temperature: 1.350000
Total energy: -226.957659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.957659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.957659 (E_RNA)
where:
Base-Base interactions energy: -59.905
where: short stacking energy: -57.999
Base-Backbone interact. energy: -0.382
local terms energy: -166.671258
where:
bonds (distance) C4'-P energy: -47.248
bonds (distance) P-C4' energy: -47.028
flat angles C4'-P-C4' energy: -43.465
flat angles P-C4'-P energy: -30.942
tors. eta vs tors. theta energy: 2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -951.552244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.552244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.552244 (E_RNA)
where:
Base-Base interactions energy: -651.387
where: short stacking energy: -273.215
Base-Backbone interact. energy: -1.362
local terms energy: -298.802710
where:
bonds (distance) C4'-P energy: -50.481
bonds (distance) P-C4' energy: -54.375
flat angles C4'-P-C4' energy: -65.763
flat angles P-C4'-P energy: -43.302
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: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -924.729571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.729571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.729571 (E_RNA)
where:
Base-Base interactions energy: -632.551
where: short stacking energy: -266.331
Base-Backbone interact. energy: -1.653
local terms energy: -290.525835
where:
bonds (distance) C4'-P energy: -54.602
bonds (distance) P-C4' energy: -42.177
flat angles C4'-P-C4' energy: -63.956
flat angles P-C4'-P energy: -45.972
tors. eta vs tors. theta energy: -83.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -879.175863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.175863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.175863 (E_RNA)
where:
Base-Base interactions energy: -606.223
where: short stacking energy: -239.556
Base-Backbone interact. energy: -0.947
local terms energy: -272.006519
where:
bonds (distance) C4'-P energy: -49.387
bonds (distance) P-C4' energy: -46.991
flat angles C4'-P-C4' energy: -63.502
flat angles P-C4'-P energy: -40.844
tors. eta vs tors. theta energy: -71.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -848.775577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.775577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.775577 (E_RNA)
where:
Base-Base interactions energy: -585.458
where: short stacking energy: -244.546
Base-Backbone interact. energy: -0.193
local terms energy: -263.123824
where:
bonds (distance) C4'-P energy: -46.717
bonds (distance) P-C4' energy: -55.587
flat angles C4'-P-C4' energy: -55.990
flat angles P-C4'-P energy: -34.639
tors. eta vs tors. theta energy: -70.191
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: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -749.306642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.306642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.306642 (E_RNA)
where:
Base-Base interactions energy: -520.433
where: short stacking energy: -226.184
Base-Backbone interact. energy: -0.301
local terms energy: -228.572888
where:
bonds (distance) C4'-P energy: -48.407
bonds (distance) P-C4' energy: -42.087
flat angles C4'-P-C4' energy: -49.439
flat angles P-C4'-P energy: -29.707
tors. eta vs tors. theta energy: -58.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -757.293011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.293011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.293011 (E_RNA)
where:
Base-Base interactions energy: -503.399
where: short stacking energy: -227.517
Base-Backbone interact. energy: -0.538
local terms energy: -253.356357
where:
bonds (distance) C4'-P energy: -50.903
bonds (distance) P-C4' energy: -53.219
flat angles C4'-P-C4' energy: -52.097
flat angles P-C4'-P energy: -35.221
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: 7
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -645.841710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.841710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.841710 (E_RNA)
where:
Base-Base interactions energy: -425.122
where: short stacking energy: -183.402
Base-Backbone interact. energy: -1.272
local terms energy: -219.447332
where:
bonds (distance) C4'-P energy: -49.940
bonds (distance) P-C4' energy: -46.835
flat angles C4'-P-C4' energy: -35.309
flat angles P-C4'-P energy: -37.177
tors. eta vs tors. theta energy: -50.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -424.767538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.767538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.767538 (E_RNA)
where:
Base-Base interactions energy: -234.495
where: short stacking energy: -118.724
Base-Backbone interact. energy: -1.099
local terms energy: -189.173016
where:
bonds (distance) C4'-P energy: -43.999
bonds (distance) P-C4' energy: -50.933
flat angles C4'-P-C4' energy: -51.325
flat angles P-C4'-P energy: -28.002
tors. eta vs tors. theta energy: -14.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -235.578015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.578015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.578015 (E_RNA)
where:
Base-Base interactions energy: -78.427
where: short stacking energy: -73.078
Base-Backbone interact. energy: -0.435
local terms energy: -156.715730
where:
bonds (distance) C4'-P energy: -35.525
bonds (distance) P-C4' energy: -50.102
flat angles C4'-P-C4' energy: -42.543
flat angles P-C4'-P energy: -24.922
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -283.389468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.389468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.389468 (E_RNA)
where:
Base-Base interactions energy: -138.300
where: short stacking energy: -66.493
Base-Backbone interact. energy: 2.727
local terms energy: -147.816905
where:
bonds (distance) C4'-P energy: -37.479
bonds (distance) P-C4' energy: -48.949
flat angles C4'-P-C4' energy: -51.333
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: 4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -927.032987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.032987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.032987 (E_RNA)
where:
Base-Base interactions energy: -636.428
where: short stacking energy: -254.370
Base-Backbone interact. energy: -0.993
local terms energy: -289.611833
where:
bonds (distance) C4'-P energy: -53.664
bonds (distance) P-C4' energy: -52.968
flat angles C4'-P-C4' energy: -63.965
flat angles P-C4'-P energy: -42.970
tors. eta vs tors. theta energy: -76.044
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: 3
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -930.322972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.322972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.322972 (E_RNA)
where:
Base-Base interactions energy: -646.240
where: short stacking energy: -271.570
Base-Backbone interact. energy: -2.103
local terms energy: -281.980144
where:
bonds (distance) C4'-P energy: -53.693
bonds (distance) P-C4' energy: -48.519
flat angles C4'-P-C4' energy: -59.001
flat angles P-C4'-P energy: -40.488
tors. eta vs tors. theta energy: -80.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -878.869389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.869389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.869389 (E_RNA)
where:
Base-Base interactions energy: -611.417
where: short stacking energy: -241.377
Base-Backbone interact. energy: -1.401
local terms energy: -266.051250
where:
bonds (distance) C4'-P energy: -47.245
bonds (distance) P-C4' energy: -48.393
flat angles C4'-P-C4' energy: -67.589
flat angles P-C4'-P energy: -31.123
tors. eta vs tors. theta energy: -71.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -846.156116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.156116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.156116 (E_RNA)
where:
Base-Base interactions energy: -573.845
where: short stacking energy: -233.168
Base-Backbone interact. energy: -2.573
local terms energy: -269.738558
where:
bonds (distance) C4'-P energy: -46.772
bonds (distance) P-C4' energy: -52.581
flat angles C4'-P-C4' energy: -59.135
flat angles P-C4'-P energy: -38.258
tors. eta vs tors. theta energy: -72.993
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: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -743.581006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.581006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.581006 (E_RNA)
where:
Base-Base interactions energy: -509.747
where: short stacking energy: -221.726
Base-Backbone interact. energy: 0.028
local terms energy: -233.862471
where:
bonds (distance) C4'-P energy: -39.542
bonds (distance) P-C4' energy: -46.089
flat angles C4'-P-C4' energy: -54.689
flat angles P-C4'-P energy: -31.474
tors. eta vs tors. theta energy: -62.068
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: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -757.679190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.679190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.679190 (E_RNA)
where:
Base-Base interactions energy: -513.695
where: short stacking energy: -223.749
Base-Backbone interact. energy: -1.452
local terms energy: -242.531968
where:
bonds (distance) C4'-P energy: -43.794
bonds (distance) P-C4' energy: -46.869
flat angles C4'-P-C4' energy: -53.162
flat angles P-C4'-P energy: -34.282
tors. eta vs tors. theta energy: -64.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -615.607782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.607782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.607782 (E_RNA)
where:
Base-Base interactions energy: -401.278
where: short stacking energy: -182.514
Base-Backbone interact. energy: -0.623
local terms energy: -213.706937
where:
bonds (distance) C4'-P energy: -48.582
bonds (distance) P-C4' energy: -53.350
flat angles C4'-P-C4' energy: -47.636
flat angles P-C4'-P energy: -27.561
tors. eta vs tors. theta energy: -36.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -440.016437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.016437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.016437 (E_RNA)
where:
Base-Base interactions energy: -244.473
where: short stacking energy: -137.159
Base-Backbone interact. energy: -1.999
local terms energy: -193.544289
where:
bonds (distance) C4'-P energy: -53.509
bonds (distance) P-C4' energy: -54.173
flat angles C4'-P-C4' energy: -48.409
flat angles P-C4'-P energy: -20.779
tors. eta vs tors. theta energy: -16.674
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: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -243.551756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.551756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.551756 (E_RNA)
where:
Base-Base interactions energy: -81.616
where: short stacking energy: -78.647
Base-Backbone interact. energy: 0.730
local terms energy: -162.666316
where:
bonds (distance) C4'-P energy: -46.292
bonds (distance) P-C4' energy: -40.541
flat angles C4'-P-C4' energy: -48.346
flat angles P-C4'-P energy: -24.469
tors. eta vs tors. theta energy: -3.018
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: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -294.164841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.164841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.164841 (E_RNA)
where:
Base-Base interactions energy: -122.204
where: short stacking energy: -74.823
Base-Backbone interact. energy: 0.776
local terms energy: -172.736672
where:
bonds (distance) C4'-P energy: -47.119
bonds (distance) P-C4' energy: -54.509
flat angles C4'-P-C4' energy: -40.207
flat angles P-C4'-P energy: -27.453
tors. eta vs tors. theta energy: -3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -942.491590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.491590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.491590 (E_RNA)
where:
Base-Base interactions energy: -667.114
where: short stacking energy: -272.196
Base-Backbone interact. energy: -1.089
local terms energy: -274.288437
where:
bonds (distance) C4'-P energy: -38.519
bonds (distance) P-C4' energy: -55.647
flat angles C4'-P-C4' energy: -62.156
flat angles P-C4'-P energy: -40.142
tors. eta vs tors. theta energy: -77.823
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: 3
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -929.711936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.711936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.711936 (E_RNA)
where:
Base-Base interactions energy: -643.777
where: short stacking energy: -266.404
Base-Backbone interact. energy: -1.649
local terms energy: -284.285092
where:
bonds (distance) C4'-P energy: -50.454
bonds (distance) P-C4' energy: -52.698
flat angles C4'-P-C4' energy: -58.696
flat angles P-C4'-P energy: -43.554
tors. eta vs tors. theta energy: -78.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -860.410263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.410263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.410263 (E_RNA)
where:
Base-Base interactions energy: -606.521
where: short stacking energy: -260.727
Base-Backbone interact. energy: -1.051
local terms energy: -252.838443
where:
bonds (distance) C4'-P energy: -41.215
bonds (distance) P-C4' energy: -37.458
flat angles C4'-P-C4' energy: -62.411
flat angles P-C4'-P energy: -34.622
tors. eta vs tors. theta energy: -77.132
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: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -866.915929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.915929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.915929 (E_RNA)
where:
Base-Base interactions energy: -601.675
where: short stacking energy: -239.896
Base-Backbone interact. energy: -1.030
local terms energy: -264.210858
where:
bonds (distance) C4'-P energy: -50.852
bonds (distance) P-C4' energy: -46.406
flat angles C4'-P-C4' energy: -61.427
flat angles P-C4'-P energy: -31.874
tors. eta vs tors. theta energy: -73.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -754.255377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.255377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.255377 (E_RNA)
where:
Base-Base interactions energy: -520.580
where: short stacking energy: -223.851
Base-Backbone interact. energy: 0.327
local terms energy: -234.002413
where:
bonds (distance) C4'-P energy: -44.118
bonds (distance) P-C4' energy: -44.337
flat angles C4'-P-C4' energy: -58.696
flat angles P-C4'-P energy: -28.050
tors. eta vs tors. theta energy: -58.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -745.468680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.468680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.468680 (E_RNA)
where:
Base-Base interactions energy: -509.748
where: short stacking energy: -223.808
Base-Backbone interact. energy: -0.025
local terms energy: -235.696058
where:
bonds (distance) C4'-P energy: -50.493
bonds (distance) P-C4' energy: -38.974
flat angles C4'-P-C4' energy: -46.407
flat angles P-C4'-P energy: -32.146
tors. eta vs tors. theta energy: -67.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -587.961216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.961216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.961216 (E_RNA)
where:
Base-Base interactions energy: -379.160
where: short stacking energy: -169.839
Base-Backbone interact. energy: -2.344
local terms energy: -206.457958
where:
bonds (distance) C4'-P energy: -44.780
bonds (distance) P-C4' energy: -44.791
flat angles C4'-P-C4' energy: -51.471
flat angles P-C4'-P energy: -28.212
tors. eta vs tors. theta energy: -37.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -429.225517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.225517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.225517 (E_RNA)
where:
Base-Base interactions energy: -224.777
where: short stacking energy: -136.990
Base-Backbone interact. energy: -0.027
local terms energy: -204.421262
where:
bonds (distance) C4'-P energy: -54.245
bonds (distance) P-C4' energy: -47.943
flat angles C4'-P-C4' energy: -44.854
flat angles P-C4'-P energy: -30.494
tors. eta vs tors. theta energy: -26.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -345.729008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.729008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.729008 (E_RNA)
where:
Base-Base interactions energy: -189.272
where: short stacking energy: -98.474
Base-Backbone interact. energy: -0.355
local terms energy: -156.102606
where:
bonds (distance) C4'-P energy: -32.573
bonds (distance) P-C4' energy: -53.206
flat angles C4'-P-C4' energy: -39.529
flat angles P-C4'-P energy: -32.534
tors. eta vs tors. theta energy: 1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -245.002295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.002295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.002295 (E_RNA)
where:
Base-Base interactions energy: -118.675
where: short stacking energy: -81.023
Base-Backbone interact. energy: 1.641
local terms energy: -127.968558
where:
bonds (distance) C4'-P energy: -36.082
bonds (distance) P-C4' energy: -43.180
flat angles C4'-P-C4' energy: -35.680
flat angles P-C4'-P energy: -17.330
tors. eta vs tors. theta energy: 4.304
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: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -925.566260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.566260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.566260 (E_RNA)
where:
Base-Base interactions energy: -653.626
where: short stacking energy: -265.962
Base-Backbone interact. energy: -2.056
local terms energy: -269.883756
where:
bonds (distance) C4'-P energy: -46.598
bonds (distance) P-C4' energy: -52.666
flat angles C4'-P-C4' energy: -56.253
flat angles P-C4'-P energy: -32.127
tors. eta vs tors. theta energy: -82.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -919.202930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.202930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.202930 (E_RNA)
where:
Base-Base interactions energy: -630.575
where: short stacking energy: -255.001
Base-Backbone interact. energy: -0.531
local terms energy: -288.096508
where:
bonds (distance) C4'-P energy: -46.512
bonds (distance) P-C4' energy: -51.531
flat angles C4'-P-C4' energy: -62.005
flat angles P-C4'-P energy: -46.114
tors. eta vs tors. theta energy: -81.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -841.118616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.118616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.118616 (E_RNA)
where:
Base-Base interactions energy: -585.406
where: short stacking energy: -254.166
Base-Backbone interact. energy: -0.646
local terms energy: -255.066426
where:
bonds (distance) C4'-P energy: -57.459
bonds (distance) P-C4' energy: -51.664
flat angles C4'-P-C4' energy: -51.297
flat angles P-C4'-P energy: -26.420
tors. eta vs tors. theta energy: -68.227
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: 229
Temperature: 1.050000
Total energy: -860.870718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.870718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.870718 (E_RNA)
where:
Base-Base interactions energy: -599.940
where: short stacking energy: -249.863
Base-Backbone interact. energy: -2.073
local terms energy: -258.857999
where:
bonds (distance) C4'-P energy: -45.195
bonds (distance) P-C4' energy: -44.957
flat angles C4'-P-C4' energy: -54.648
flat angles P-C4'-P energy: -34.493
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: 5, replica: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -779.255562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.255562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.255562 (E_RNA)
where:
Base-Base interactions energy: -511.322
where: short stacking energy: -229.311
Base-Backbone interact. energy: -1.261
local terms energy: -266.672235
where:
bonds (distance) C4'-P energy: -48.967
bonds (distance) P-C4' energy: -56.864
flat angles C4'-P-C4' energy: -55.382
flat angles P-C4'-P energy: -36.791
tors. eta vs tors. theta energy: -68.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -737.712095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.712095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.712095 (E_RNA)
where:
Base-Base interactions energy: -493.758
where: short stacking energy: -200.090
Base-Backbone interact. energy: -3.339
local terms energy: -240.615312
where:
bonds (distance) C4'-P energy: -43.349
bonds (distance) P-C4' energy: -49.310
flat angles C4'-P-C4' energy: -50.371
flat angles P-C4'-P energy: -37.849
tors. eta vs tors. theta energy: -59.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -625.805325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.805325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.805325 (E_RNA)
where:
Base-Base interactions energy: -413.105
where: short stacking energy: -173.507
Base-Backbone interact. energy: -0.168
local terms energy: -212.531662
where:
bonds (distance) C4'-P energy: -52.413
bonds (distance) P-C4' energy: -38.419
flat angles C4'-P-C4' energy: -52.298
flat angles P-C4'-P energy: -27.983
tors. eta vs tors. theta energy: -41.419
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: 229
Temperature: 1.250000
Total energy: -402.767782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.767782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.767782 (E_RNA)
where:
Base-Base interactions energy: -225.577
where: short stacking energy: -114.522
Base-Backbone interact. energy: 1.420
local terms energy: -178.611141
where:
bonds (distance) C4'-P energy: -47.922
bonds (distance) P-C4' energy: -42.305
flat angles C4'-P-C4' energy: -44.076
flat angles P-C4'-P energy: -26.078
tors. eta vs tors. theta energy: -18.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -421.409953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.409953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.409953 (E_RNA)
where:
Base-Base interactions energy: -253.085
where: short stacking energy: -124.468
Base-Backbone interact. energy: -0.546
local terms energy: -167.779400
where:
bonds (distance) C4'-P energy: -44.425
bonds (distance) P-C4' energy: -44.690
flat angles C4'-P-C4' energy: -45.236
flat angles P-C4'-P energy: -22.832
tors. eta vs tors. theta energy: -10.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -245.117414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.117414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.117414 (E_RNA)
where:
Base-Base interactions energy: -83.972
where: short stacking energy: -86.582
Base-Backbone interact. energy: -1.534
local terms energy: -159.611959
where:
bonds (distance) C4'-P energy: -45.475
bonds (distance) P-C4' energy: -40.429
flat angles C4'-P-C4' energy: -45.951
flat angles P-C4'-P energy: -22.125
tors. eta vs tors. theta energy: -5.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -923.777310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.777310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.777310 (E_RNA)
where:
Base-Base interactions energy: -637.755
where: short stacking energy: -258.593
Base-Backbone interact. energy: -0.950
local terms energy: -285.072863
where:
bonds (distance) C4'-P energy: -56.881
bonds (distance) P-C4' energy: -56.517
flat angles C4'-P-C4' energy: -61.368
flat angles P-C4'-P energy: -35.585
tors. eta vs tors. theta energy: -74.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -916.687269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.687269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.687269 (E_RNA)
where:
Base-Base interactions energy: -644.381
where: short stacking energy: -246.344
Base-Backbone interact. energy: -1.537
local terms energy: -270.769033
where:
bonds (distance) C4'-P energy: -57.574
bonds (distance) P-C4' energy: -49.917
flat angles C4'-P-C4' energy: -56.901
flat angles P-C4'-P energy: -37.334
tors. eta vs tors. theta energy: -69.043
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: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -880.900346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.900346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.900346 (E_RNA)
where:
Base-Base interactions energy: -613.990
where: short stacking energy: -247.930
Base-Backbone interact. energy: -1.997
local terms energy: -264.913315
where:
bonds (distance) C4'-P energy: -40.003
bonds (distance) P-C4' energy: -47.025
flat angles C4'-P-C4' energy: -66.664
flat angles P-C4'-P energy: -41.935
tors. eta vs tors. theta energy: -69.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -827.421310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.421310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.421310 (E_RNA)
where:
Base-Base interactions energy: -582.993
where: short stacking energy: -230.502
Base-Backbone interact. energy: 0.204
local terms energy: -244.632374
where:
bonds (distance) C4'-P energy: -37.803
bonds (distance) P-C4' energy: -53.573
flat angles C4'-P-C4' energy: -52.621
flat angles P-C4'-P energy: -31.596
tors. eta vs tors. theta energy: -69.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -780.949770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.949770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.949770 (E_RNA)
where:
Base-Base interactions energy: -535.415
where: short stacking energy: -225.069
Base-Backbone interact. energy: -0.580
local terms energy: -244.954870
where:
bonds (distance) C4'-P energy: -49.404
bonds (distance) P-C4' energy: -47.108
flat angles C4'-P-C4' energy: -55.431
flat angles P-C4'-P energy: -30.240
tors. eta vs tors. theta energy: -62.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -723.467153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.467153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.467153 (E_RNA)
where:
Base-Base interactions energy: -484.798
where: short stacking energy: -204.880
Base-Backbone interact. energy: -0.502
local terms energy: -238.166713
where:
bonds (distance) C4'-P energy: -44.582
bonds (distance) P-C4' energy: -47.580
flat angles C4'-P-C4' energy: -49.484
flat angles P-C4'-P energy: -36.693
tors. eta vs tors. theta energy: -59.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -594.979529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.979529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.979529 (E_RNA)
where:
Base-Base interactions energy: -392.353
where: short stacking energy: -172.695
Base-Backbone interact. energy: -0.227
local terms energy: -202.399587
where:
bonds (distance) C4'-P energy: -42.908
bonds (distance) P-C4' energy: -37.783
flat angles C4'-P-C4' energy: -46.514
flat angles P-C4'-P energy: -35.261
tors. eta vs tors. theta energy: -39.933
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: 8, replica: 9
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -422.741426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.741426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.741426 (E_RNA)
where:
Base-Base interactions energy: -229.399
where: short stacking energy: -120.165
Base-Backbone interact. energy: 1.561
local terms energy: -194.903118
where:
bonds (distance) C4'-P energy: -46.489
bonds (distance) P-C4' energy: -50.325
flat angles C4'-P-C4' energy: -44.360
flat angles P-C4'-P energy: -38.524
tors. eta vs tors. theta energy: -15.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -400.378346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.378346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.378346 (E_RNA)
where:
Base-Base interactions energy: -222.355
where: short stacking energy: -114.208
Base-Backbone interact. energy: -2.406
local terms energy: -175.617034
where:
bonds (distance) C4'-P energy: -43.184
bonds (distance) P-C4' energy: -48.169
flat angles C4'-P-C4' energy: -43.647
flat angles P-C4'-P energy: -22.166
tors. eta vs tors. theta energy: -18.451
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: 230
Temperature: 1.350000
Total energy: -224.513135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.513135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.513135 (E_RNA)
where:
Base-Base interactions energy: -83.360
where: short stacking energy: -70.700
Base-Backbone interact. energy: 1.036
local terms energy: -142.189058
where:
bonds (distance) C4'-P energy: -37.015
bonds (distance) P-C4' energy: -49.866
flat angles C4'-P-C4' energy: -31.999
flat angles P-C4'-P energy: -23.804
tors. eta vs tors. theta energy: 0.494
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: 231
Temperature: 0.900000
Total energy: -928.539518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.539518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.539518 (E_RNA)
where:
Base-Base interactions energy: -632.780
where: short stacking energy: -266.866
Base-Backbone interact. energy: -1.141
local terms energy: -294.618104
where:
bonds (distance) C4'-P energy: -50.823
bonds (distance) P-C4' energy: -61.454
flat angles C4'-P-C4' energy: -59.667
flat angles P-C4'-P energy: -43.920
tors. eta vs tors. theta energy: -78.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -913.834502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.834502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.834502 (E_RNA)
where:
Base-Base interactions energy: -631.667
where: short stacking energy: -250.179
Base-Backbone interact. energy: -1.390
local terms energy: -280.777861
where:
bonds (distance) C4'-P energy: -52.305
bonds (distance) P-C4' energy: -53.501
flat angles C4'-P-C4' energy: -52.986
flat angles P-C4'-P energy: -48.329
tors. eta vs tors. theta energy: -73.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -863.929347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.929347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.929347 (E_RNA)
where:
Base-Base interactions energy: -602.985
where: short stacking energy: -227.483
Base-Backbone interact. energy: -1.668
local terms energy: -259.276402
where:
bonds (distance) C4'-P energy: -48.788
bonds (distance) P-C4' energy: -44.239
flat angles C4'-P-C4' energy: -55.684
flat angles P-C4'-P energy: -39.745
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: 4, replica: 1
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -854.898294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.898294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.898294 (E_RNA)
where:
Base-Base interactions energy: -609.579
where: short stacking energy: -238.716
Base-Backbone interact. energy: 2.301
local terms energy: -247.620205
where:
bonds (distance) C4'-P energy: -52.697
bonds (distance) P-C4' energy: -47.232
flat angles C4'-P-C4' energy: -51.022
flat angles P-C4'-P energy: -30.104
tors. eta vs tors. theta energy: -66.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -777.207432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.207432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.207432 (E_RNA)
where:
Base-Base interactions energy: -519.584
where: short stacking energy: -231.403
Base-Backbone interact. energy: -1.258
local terms energy: -256.365565
where:
bonds (distance) C4'-P energy: -49.078
bonds (distance) P-C4' energy: -51.714
flat angles C4'-P-C4' energy: -48.007
flat angles P-C4'-P energy: -37.131
tors. eta vs tors. theta energy: -70.436
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: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -754.701445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.701445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.701445 (E_RNA)
where:
Base-Base interactions energy: -516.542
where: short stacking energy: -227.272
Base-Backbone interact. energy: -0.574
local terms energy: -237.586334
where:
bonds (distance) C4'-P energy: -42.129
bonds (distance) P-C4' energy: -42.004
flat angles C4'-P-C4' energy: -52.597
flat angles P-C4'-P energy: -33.905
tors. eta vs tors. theta energy: -66.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -595.289186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.289186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.289186 (E_RNA)
where:
Base-Base interactions energy: -387.650
where: short stacking energy: -170.559
Base-Backbone interact. energy: -1.026
local terms energy: -206.612911
where:
bonds (distance) C4'-P energy: -40.829
bonds (distance) P-C4' energy: -38.719
flat angles C4'-P-C4' energy: -47.687
flat angles P-C4'-P energy: -31.709
tors. eta vs tors. theta energy: -47.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -460.556847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.556847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.556847 (E_RNA)
where:
Base-Base interactions energy: -254.001
where: short stacking energy: -142.851
Base-Backbone interact. energy: -0.533
local terms energy: -206.022618
where:
bonds (distance) C4'-P energy: -40.597
bonds (distance) P-C4' energy: -50.573
flat angles C4'-P-C4' energy: -51.966
flat angles P-C4'-P energy: -31.063
tors. eta vs tors. theta energy: -31.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -388.005865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.005865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.005865 (E_RNA)
where:
Base-Base interactions energy: -223.469
where: short stacking energy: -112.368
Base-Backbone interact. energy: -1.488
local terms energy: -163.048964
where:
bonds (distance) C4'-P energy: -32.543
bonds (distance) P-C4' energy: -45.601
flat angles C4'-P-C4' energy: -30.103
flat angles P-C4'-P energy: -40.110
tors. eta vs tors. theta energy: -14.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -256.580509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.580509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.580509 (E_RNA)
where:
Base-Base interactions energy: -100.915
where: short stacking energy: -71.495
Base-Backbone interact. energy: -1.636
local terms energy: -154.029400
where:
bonds (distance) C4'-P energy: -46.009
bonds (distance) P-C4' energy: -41.218
flat angles C4'-P-C4' energy: -34.166
flat angles P-C4'-P energy: -24.300
tors. eta vs tors. theta energy: -8.336
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: 3
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -924.320784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.320784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.320784 (E_RNA)
where:
Base-Base interactions energy: -644.601
where: short stacking energy: -276.063
Base-Backbone interact. energy: -1.177
local terms energy: -278.542352
where:
bonds (distance) C4'-P energy: -46.903
bonds (distance) P-C4' energy: -56.700
flat angles C4'-P-C4' energy: -61.124
flat angles P-C4'-P energy: -35.881
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: 2, replica: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -927.957794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.957794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.957794 (E_RNA)
where:
Base-Base interactions energy: -646.790
where: short stacking energy: -275.461
Base-Backbone interact. energy: -2.335
local terms energy: -278.833016
where:
bonds (distance) C4'-P energy: -45.453
bonds (distance) P-C4' energy: -45.023
flat angles C4'-P-C4' energy: -59.090
flat angles P-C4'-P energy: -44.897
tors. eta vs tors. theta energy: -84.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -898.587335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.587335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.587335 (E_RNA)
where:
Base-Base interactions energy: -622.187
where: short stacking energy: -240.472
Base-Backbone interact. energy: -3.436
local terms energy: -272.964127
where:
bonds (distance) C4'-P energy: -50.596
bonds (distance) P-C4' energy: -47.830
flat angles C4'-P-C4' energy: -60.958
flat angles P-C4'-P energy: -34.338
tors. eta vs tors. theta energy: -79.242
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: 232
Temperature: 1.050000
Total energy: -848.542409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.542409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.542409 (E_RNA)
where:
Base-Base interactions energy: -589.974
where: short stacking energy: -218.946
Base-Backbone interact. energy: -0.332
local terms energy: -258.237086
where:
bonds (distance) C4'-P energy: -53.258
bonds (distance) P-C4' energy: -56.907
flat angles C4'-P-C4' energy: -49.968
flat angles P-C4'-P energy: -33.591
tors. eta vs tors. theta energy: -64.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -775.078749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.078749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.078749 (E_RNA)
where:
Base-Base interactions energy: -523.204
where: short stacking energy: -208.484
Base-Backbone interact. energy: -1.021
local terms energy: -250.852938
where:
bonds (distance) C4'-P energy: -47.082
bonds (distance) P-C4' energy: -50.517
flat angles C4'-P-C4' energy: -54.206
flat angles P-C4'-P energy: -38.248
tors. eta vs tors. theta energy: -60.801
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: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -743.596511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.596511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.596511 (E_RNA)
where:
Base-Base interactions energy: -504.647
where: short stacking energy: -226.837
Base-Backbone interact. energy: -1.225
local terms energy: -237.724334
where:
bonds (distance) C4'-P energy: -43.986
bonds (distance) P-C4' energy: -44.123
flat angles C4'-P-C4' energy: -56.442
flat angles P-C4'-P energy: -43.169
tors. eta vs tors. theta energy: -50.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -590.622152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.622152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.622152 (E_RNA)
where:
Base-Base interactions energy: -381.213
where: short stacking energy: -182.850
Base-Backbone interact. energy: -0.121
local terms energy: -209.288972
where:
bonds (distance) C4'-P energy: -35.910
bonds (distance) P-C4' energy: -43.293
flat angles C4'-P-C4' energy: -48.423
flat angles P-C4'-P energy: -38.582
tors. eta vs tors. theta energy: -43.081
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: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -473.280382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.280382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.280382 (E_RNA)
where:
Base-Base interactions energy: -283.538
where: short stacking energy: -131.544
Base-Backbone interact. energy: 2.519
local terms energy: -192.260957
where:
bonds (distance) C4'-P energy: -49.343
bonds (distance) P-C4' energy: -42.348
flat angles C4'-P-C4' energy: -49.043
flat angles P-C4'-P energy: -35.162
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -375.280199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.280199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.280199 (E_RNA)
where:
Base-Base interactions energy: -223.349
where: short stacking energy: -125.883
Base-Backbone interact. energy: 0.379
local terms energy: -152.310570
where:
bonds (distance) C4'-P energy: -29.942
bonds (distance) P-C4' energy: -54.311
flat angles C4'-P-C4' energy: -37.917
flat angles P-C4'-P energy: -23.336
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: 10, replica: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -299.385934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.385934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.385934 (E_RNA)
where:
Base-Base interactions energy: -141.285
where: short stacking energy: -74.119
Base-Backbone interact. energy: -1.367
local terms energy: -156.733887
where:
bonds (distance) C4'-P energy: -53.066
bonds (distance) P-C4' energy: -45.731
flat angles C4'-P-C4' energy: -37.057
flat angles P-C4'-P energy: -20.828
tors. eta vs tors. theta energy: -0.052
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: 1, replica: 3
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -920.774824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.774824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.774824 (E_RNA)
where:
Base-Base interactions energy: -638.398
where: short stacking energy: -262.056
Base-Backbone interact. energy: 0.952
local terms energy: -283.328832
where:
bonds (distance) C4'-P energy: -50.174
bonds (distance) P-C4' energy: -56.350
flat angles C4'-P-C4' energy: -60.486
flat angles P-C4'-P energy: -42.026
tors. eta vs tors. theta energy: -74.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -931.157866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.157866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.157866 (E_RNA)
where:
Base-Base interactions energy: -633.481
where: short stacking energy: -270.190
Base-Backbone interact. energy: -1.503
local terms energy: -296.172925
where:
bonds (distance) C4'-P energy: -54.691
bonds (distance) P-C4' energy: -57.873
flat angles C4'-P-C4' energy: -60.486
flat angles P-C4'-P energy: -41.979
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: 1
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -923.507200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.507200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.507200 (E_RNA)
where:
Base-Base interactions energy: -642.825
where: short stacking energy: -256.335
Base-Backbone interact. energy: 0.989
local terms energy: -281.671823
where:
bonds (distance) C4'-P energy: -50.425
bonds (distance) P-C4' energy: -53.350
flat angles C4'-P-C4' energy: -55.020
flat angles P-C4'-P energy: -42.113
tors. eta vs tors. theta energy: -80.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -838.598419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.598419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.598419 (E_RNA)
where:
Base-Base interactions energy: -593.878
where: short stacking energy: -219.640
Base-Backbone interact. energy: -0.577
local terms energy: -244.142759
where:
bonds (distance) C4'-P energy: -45.859
bonds (distance) P-C4' energy: -40.788
flat angles C4'-P-C4' energy: -49.819
flat angles P-C4'-P energy: -39.366
tors. eta vs tors. theta energy: -68.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -760.290628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.290628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.290628 (E_RNA)
where:
Base-Base interactions energy: -505.120
where: short stacking energy: -220.865
Base-Backbone interact. energy: -1.672
local terms energy: -253.499036
where:
bonds (distance) C4'-P energy: -56.830
bonds (distance) P-C4' energy: -48.100
flat angles C4'-P-C4' energy: -48.529
flat angles P-C4'-P energy: -34.002
tors. eta vs tors. theta energy: -66.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -738.058036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.058036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.058036 (E_RNA)
where:
Base-Base interactions energy: -514.871
where: short stacking energy: -209.433
Base-Backbone interact. energy: -0.851
local terms energy: -222.336723
where:
bonds (distance) C4'-P energy: -45.859
bonds (distance) P-C4' energy: -45.664
flat angles C4'-P-C4' energy: -51.359
flat angles P-C4'-P energy: -27.142
tors. eta vs tors. theta energy: -52.313
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: 233
Temperature: 1.200000
Total energy: -655.935760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.935760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.935760 (E_RNA)
where:
Base-Base interactions energy: -433.586
where: short stacking energy: -175.416
Base-Backbone interact. energy: 0.331
local terms energy: -222.680796
where:
bonds (distance) C4'-P energy: -41.596
bonds (distance) P-C4' energy: -49.213
flat angles C4'-P-C4' energy: -50.984
flat angles P-C4'-P energy: -34.681
tors. eta vs tors. theta energy: -46.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -487.910976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.910976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.910976 (E_RNA)
where:
Base-Base interactions energy: -302.111
where: short stacking energy: -151.009
Base-Backbone interact. energy: -0.823
local terms energy: -184.976638
where:
bonds (distance) C4'-P energy: -46.143
bonds (distance) P-C4' energy: -43.473
flat angles C4'-P-C4' energy: -47.394
flat angles P-C4'-P energy: -25.115
tors. eta vs tors. theta energy: -22.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -421.310817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.310817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.310817 (E_RNA)
where:
Base-Base interactions energy: -248.247
where: short stacking energy: -120.917
Base-Backbone interact. energy: 1.102
local terms energy: -174.166172
where:
bonds (distance) C4'-P energy: -31.806
bonds (distance) P-C4' energy: -51.673
flat angles C4'-P-C4' energy: -55.436
flat angles P-C4'-P energy: -23.840
tors. eta vs tors. theta energy: -11.412
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: 233
Temperature: 1.350000
Total energy: -289.651746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.651746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.651746 (E_RNA)
where:
Base-Base interactions energy: -138.369
where: short stacking energy: -77.087
Base-Backbone interact. energy: -1.724
local terms energy: -149.558470
where:
bonds (distance) C4'-P energy: -40.215
bonds (distance) P-C4' energy: -46.386
flat angles C4'-P-C4' energy: -38.774
flat angles P-C4'-P energy: -21.614
tors. eta vs tors. theta energy: -2.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -939.499415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.499415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.499415 (E_RNA)
where:
Base-Base interactions energy: -659.103
where: short stacking energy: -281.646
Base-Backbone interact. energy: -1.103
local terms energy: -279.292766
where:
bonds (distance) C4'-P energy: -46.497
bonds (distance) P-C4' energy: -49.004
flat angles C4'-P-C4' energy: -57.714
flat angles P-C4'-P energy: -42.139
tors. eta vs tors. theta energy: -83.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -923.759403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.759403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.759403 (E_RNA)
where:
Base-Base interactions energy: -634.466
where: short stacking energy: -282.802
Base-Backbone interact. energy: -0.757
local terms energy: -288.536885
where:
bonds (distance) C4'-P energy: -47.508
bonds (distance) P-C4' energy: -59.493
flat angles C4'-P-C4' energy: -62.218
flat angles P-C4'-P energy: -35.809
tors. eta vs tors. theta energy: -83.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -912.301819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.301819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.301819 (E_RNA)
where:
Base-Base interactions energy: -642.821
where: short stacking energy: -268.156
Base-Backbone interact. energy: -1.944
local terms energy: -267.536612
where:
bonds (distance) C4'-P energy: -38.401
bonds (distance) P-C4' energy: -50.059
flat angles C4'-P-C4' energy: -54.951
flat angles P-C4'-P energy: -42.215
tors. eta vs tors. theta energy: -81.911
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: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -842.245623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.245623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.245623 (E_RNA)
where:
Base-Base interactions energy: -589.675
where: short stacking energy: -228.048
Base-Backbone interact. energy: -1.189
local terms energy: -251.381583
where:
bonds (distance) C4'-P energy: -44.605
bonds (distance) P-C4' energy: -44.599
flat angles C4'-P-C4' energy: -56.939
flat angles P-C4'-P energy: -44.025
tors. eta vs tors. theta energy: -61.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -754.199683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.199683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.199683 (E_RNA)
where:
Base-Base interactions energy: -499.508
where: short stacking energy: -215.790
Base-Backbone interact. energy: -1.956
local terms energy: -252.735428
where:
bonds (distance) C4'-P energy: -51.382
bonds (distance) P-C4' energy: -56.230
flat angles C4'-P-C4' energy: -48.617
flat angles P-C4'-P energy: -37.266
tors. eta vs tors. theta energy: -59.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -737.643419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.643419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.643419 (E_RNA)
where:
Base-Base interactions energy: -509.357
where: short stacking energy: -215.004
Base-Backbone interact. energy: -0.599
local terms energy: -227.687125
where:
bonds (distance) C4'-P energy: -47.124
bonds (distance) P-C4' energy: -41.370
flat angles C4'-P-C4' energy: -55.002
flat angles P-C4'-P energy: -31.629
tors. eta vs tors. theta energy: -52.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -634.118995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.118995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.118995 (E_RNA)
where:
Base-Base interactions energy: -407.061
where: short stacking energy: -165.874
Base-Backbone interact. energy: -0.458
local terms energy: -226.600205
where:
bonds (distance) C4'-P energy: -50.619
bonds (distance) P-C4' energy: -50.568
flat angles C4'-P-C4' energy: -40.562
flat angles P-C4'-P energy: -38.816
tors. eta vs tors. theta energy: -46.035
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: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -501.635300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.635300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.635300 (E_RNA)
where:
Base-Base interactions energy: -294.204
where: short stacking energy: -146.289
Base-Backbone interact. energy: -0.389
local terms energy: -207.041950
where:
bonds (distance) C4'-P energy: -44.021
bonds (distance) P-C4' energy: -51.307
flat angles C4'-P-C4' energy: -45.056
flat angles P-C4'-P energy: -34.678
tors. eta vs tors. theta energy: -31.979
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: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -425.687258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.687258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.687258 (E_RNA)
where:
Base-Base interactions energy: -246.779
where: short stacking energy: -122.675
Base-Backbone interact. energy: 3.664
local terms energy: -182.572284
where:
bonds (distance) C4'-P energy: -45.410
bonds (distance) P-C4' energy: -44.627
flat angles C4'-P-C4' energy: -43.469
flat angles P-C4'-P energy: -35.062
tors. eta vs tors. theta energy: -14.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -325.584903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.584903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.584903 (E_RNA)
where:
Base-Base interactions energy: -175.799
where: short stacking energy: -90.312
Base-Backbone interact. energy: -0.617
local terms energy: -149.168763
where:
bonds (distance) C4'-P energy: -34.389
bonds (distance) P-C4' energy: -43.308
flat angles C4'-P-C4' energy: -39.806
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -14.662
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: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -920.677193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.677193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.677193 (E_RNA)
where:
Base-Base interactions energy: -645.718
where: short stacking energy: -275.308
Base-Backbone interact. energy: -0.604
local terms energy: -274.355602
where:
bonds (distance) C4'-P energy: -46.201
bonds (distance) P-C4' energy: -47.243
flat angles C4'-P-C4' energy: -59.828
flat angles P-C4'-P energy: -46.077
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: 2, replica: 1
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -925.620693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.620693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.620693 (E_RNA)
where:
Base-Base interactions energy: -643.150
where: short stacking energy: -265.169
Base-Backbone interact. energy: -2.115
local terms energy: -280.355712
where:
bonds (distance) C4'-P energy: -48.144
bonds (distance) P-C4' energy: -59.477
flat angles C4'-P-C4' energy: -53.005
flat angles P-C4'-P energy: -43.772
tors. eta vs tors. theta energy: -75.958
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: 3, replica: 3
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -929.396464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.396464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.396464 (E_RNA)
where:
Base-Base interactions energy: -640.114
where: short stacking energy: -268.332
Base-Backbone interact. energy: -1.348
local terms energy: -287.934316
where:
bonds (distance) C4'-P energy: -54.129
bonds (distance) P-C4' energy: -45.058
flat angles C4'-P-C4' energy: -64.341
flat angles P-C4'-P energy: -44.518
tors. eta vs tors. theta energy: -79.889
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: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -846.412714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.412714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.412714 (E_RNA)
where:
Base-Base interactions energy: -587.874
where: short stacking energy: -234.524
Base-Backbone interact. energy: -1.506
local terms energy: -257.032144
where:
bonds (distance) C4'-P energy: -48.608
bonds (distance) P-C4' energy: -56.032
flat angles C4'-P-C4' energy: -46.178
flat angles P-C4'-P energy: -37.978
tors. eta vs tors. theta energy: -68.236
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: 10
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -766.931482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.931482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.931482 (E_RNA)
where:
Base-Base interactions energy: -530.236
where: short stacking energy: -219.236
Base-Backbone interact. energy: -1.253
local terms energy: -235.442402
where:
bonds (distance) C4'-P energy: -41.918
bonds (distance) P-C4' energy: -50.832
flat angles C4'-P-C4' energy: -48.659
flat angles P-C4'-P energy: -37.896
tors. eta vs tors. theta energy: -56.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -737.801855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.801855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.801855 (E_RNA)
where:
Base-Base interactions energy: -508.751
where: short stacking energy: -201.996
Base-Backbone interact. energy: -0.849
local terms energy: -228.201883
where:
bonds (distance) C4'-P energy: -38.146
bonds (distance) P-C4' energy: -41.592
flat angles C4'-P-C4' energy: -58.566
flat angles P-C4'-P energy: -27.957
tors. eta vs tors. theta energy: -61.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -668.127468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.127468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.127468 (E_RNA)
where:
Base-Base interactions energy: -462.819
where: short stacking energy: -188.774
Base-Backbone interact. energy: 0.000
local terms energy: -205.309033
where:
bonds (distance) C4'-P energy: -26.005
bonds (distance) P-C4' energy: -51.338
flat angles C4'-P-C4' energy: -51.632
flat angles P-C4'-P energy: -23.876
tors. eta vs tors. theta energy: -52.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -500.033522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.033522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.033522 (E_RNA)
where:
Base-Base interactions energy: -288.615
where: short stacking energy: -134.887
Base-Backbone interact. energy: -1.689
local terms energy: -209.729705
where:
bonds (distance) C4'-P energy: -55.008
bonds (distance) P-C4' energy: -51.945
flat angles C4'-P-C4' energy: -41.182
flat angles P-C4'-P energy: -36.568
tors. eta vs tors. theta energy: -25.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -420.422598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.422598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.422598 (E_RNA)
where:
Base-Base interactions energy: -252.821
where: short stacking energy: -125.460
Base-Backbone interact. energy: -0.822
local terms energy: -166.779826
where:
bonds (distance) C4'-P energy: -49.830
bonds (distance) P-C4' energy: -37.313
flat angles C4'-P-C4' energy: -36.484
flat angles P-C4'-P energy: -23.337
tors. eta vs tors. theta energy: -19.816
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: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -345.181125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.181125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.181125 (E_RNA)
where:
Base-Base interactions energy: -187.910
where: short stacking energy: -93.428
Base-Backbone interact. energy: 0.160
local terms energy: -157.431165
where:
bonds (distance) C4'-P energy: -38.000
bonds (distance) P-C4' energy: -54.314
flat angles C4'-P-C4' energy: -31.297
flat angles P-C4'-P energy: -26.614
tors. eta vs tors. theta energy: -7.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -932.890731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.890731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.890731 (E_RNA)
where:
Base-Base interactions energy: -646.447
where: short stacking energy: -263.775
Base-Backbone interact. energy: 0.067
local terms energy: -286.510472
where:
bonds (distance) C4'-P energy: -56.225
bonds (distance) P-C4' energy: -52.549
flat angles C4'-P-C4' energy: -64.057
flat angles P-C4'-P energy: -37.380
tors. eta vs tors. theta energy: -76.299
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: 2, replica: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -908.708885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.708885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.708885 (E_RNA)
where:
Base-Base interactions energy: -634.593
where: short stacking energy: -265.372
Base-Backbone interact. energy: -0.384
local terms energy: -273.731977
where:
bonds (distance) C4'-P energy: -47.805
bonds (distance) P-C4' energy: -53.398
flat angles C4'-P-C4' energy: -57.740
flat angles P-C4'-P energy: -41.604
tors. eta vs tors. theta energy: -73.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -918.838723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.838723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.838723 (E_RNA)
where:
Base-Base interactions energy: -656.160
where: short stacking energy: -265.316
Base-Backbone interact. energy: -1.095
local terms energy: -261.583468
where:
bonds (distance) C4'-P energy: -47.556
bonds (distance) P-C4' energy: -50.550
flat angles C4'-P-C4' energy: -56.988
flat angles P-C4'-P energy: -30.240
tors. eta vs tors. theta energy: -76.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -857.956694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.956694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.956694 (E_RNA)
where:
Base-Base interactions energy: -615.529
where: short stacking energy: -236.566
Base-Backbone interact. energy: -0.239
local terms energy: -242.188644
where:
bonds (distance) C4'-P energy: -38.691
bonds (distance) P-C4' energy: -33.325
flat angles C4'-P-C4' energy: -57.838
flat angles P-C4'-P energy: -42.345
tors. eta vs tors. theta energy: -69.990
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: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -796.478426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.478426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.478426 (E_RNA)
where:
Base-Base interactions energy: -535.564
where: short stacking energy: -236.181
Base-Backbone interact. energy: -1.172
local terms energy: -259.742494
where:
bonds (distance) C4'-P energy: -59.230
bonds (distance) P-C4' energy: -39.648
flat angles C4'-P-C4' energy: -56.843
flat angles P-C4'-P energy: -40.919
tors. eta vs tors. theta energy: -63.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -747.090823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.090823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.090823 (E_RNA)
where:
Base-Base interactions energy: -498.590
where: short stacking energy: -227.225
Base-Backbone interact. energy: -0.482
local terms energy: -248.018373
where:
bonds (distance) C4'-P energy: -39.987
bonds (distance) P-C4' energy: -47.266
flat angles C4'-P-C4' energy: -58.745
flat angles P-C4'-P energy: -43.447
tors. eta vs tors. theta energy: -58.573
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: 7, replica: 7
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -631.070892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.070892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.070892 (E_RNA)
where:
Base-Base interactions energy: -402.314
where: short stacking energy: -177.967
Base-Backbone interact. energy: -0.554
local terms energy: -228.202807
where:
bonds (distance) C4'-P energy: -50.333
bonds (distance) P-C4' energy: -51.334
flat angles C4'-P-C4' energy: -38.818
flat angles P-C4'-P energy: -37.483
tors. eta vs tors. theta energy: -50.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -520.502406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.502406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.502406 (E_RNA)
where:
Base-Base interactions energy: -317.137
where: short stacking energy: -147.841
Base-Backbone interact. energy: 0.694
local terms energy: -204.058702
where:
bonds (distance) C4'-P energy: -43.700
bonds (distance) P-C4' energy: -56.150
flat angles C4'-P-C4' energy: -49.189
flat angles P-C4'-P energy: -22.372
tors. eta vs tors. theta energy: -32.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -398.182892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.182892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.182892 (E_RNA)
where:
Base-Base interactions energy: -235.930
where: short stacking energy: -124.351
Base-Backbone interact. energy: 0.060
local terms energy: -162.312938
where:
bonds (distance) C4'-P energy: -37.230
bonds (distance) P-C4' energy: -38.735
flat angles C4'-P-C4' energy: -43.429
flat angles P-C4'-P energy: -24.371
tors. eta vs tors. theta energy: -18.548
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: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -271.869397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.869397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.869397 (E_RNA)
where:
Base-Base interactions energy: -110.201
where: short stacking energy: -70.411
Base-Backbone interact. energy: 1.333
local terms energy: -163.001606
where:
bonds (distance) C4'-P energy: -44.692
bonds (distance) P-C4' energy: -51.752
flat angles C4'-P-C4' energy: -40.771
flat angles P-C4'-P energy: -22.978
tors. eta vs tors. theta energy: -2.809
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: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -934.686867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.686867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.686867 (E_RNA)
where:
Base-Base interactions energy: -665.741
where: short stacking energy: -266.939
Base-Backbone interact. energy: -1.191
local terms energy: -267.753979
where:
bonds (distance) C4'-P energy: -53.304
bonds (distance) P-C4' energy: -39.826
flat angles C4'-P-C4' energy: -60.374
flat angles P-C4'-P energy: -34.221
tors. eta vs tors. theta energy: -80.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -946.847810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.847810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.847810 (E_RNA)
where:
Base-Base interactions energy: -658.265
where: short stacking energy: -263.402
Base-Backbone interact. energy: -0.385
local terms energy: -288.197933
where:
bonds (distance) C4'-P energy: -51.032
bonds (distance) P-C4' energy: -51.453
flat angles C4'-P-C4' energy: -55.731
flat angles P-C4'-P energy: -45.942
tors. eta vs tors. theta energy: -84.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -907.081354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.081354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.081354 (E_RNA)
where:
Base-Base interactions energy: -622.561
where: short stacking energy: -246.728
Base-Backbone interact. energy: -0.411
local terms energy: -284.108948
where:
bonds (distance) C4'-P energy: -52.292
bonds (distance) P-C4' energy: -49.150
flat angles C4'-P-C4' energy: -58.042
flat angles P-C4'-P energy: -49.126
tors. eta vs tors. theta energy: -75.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -838.706529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.706529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.706529 (E_RNA)
where:
Base-Base interactions energy: -602.721
where: short stacking energy: -233.143
Base-Backbone interact. energy: 0.448
local terms energy: -236.433561
where:
bonds (distance) C4'-P energy: -43.267
bonds (distance) P-C4' energy: -52.488
flat angles C4'-P-C4' energy: -49.993
flat angles P-C4'-P energy: -31.764
tors. eta vs tors. theta energy: -58.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -816.258892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.258892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.258892 (E_RNA)
where:
Base-Base interactions energy: -545.400
where: short stacking energy: -238.016
Base-Backbone interact. energy: -1.147
local terms energy: -269.712059
where:
bonds (distance) C4'-P energy: -43.364
bonds (distance) P-C4' energy: -47.658
flat angles C4'-P-C4' energy: -62.634
flat angles P-C4'-P energy: -47.035
tors. eta vs tors. theta energy: -69.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -732.560233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.560233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.560233 (E_RNA)
where:
Base-Base interactions energy: -504.934
where: short stacking energy: -214.947
Base-Backbone interact. energy: 0.935
local terms energy: -228.561139
where:
bonds (distance) C4'-P energy: -43.918
bonds (distance) P-C4' energy: -54.186
flat angles C4'-P-C4' energy: -50.254
flat angles P-C4'-P energy: -26.353
tors. eta vs tors. theta energy: -53.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -623.673016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.673016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.673016 (E_RNA)
where:
Base-Base interactions energy: -405.469
where: short stacking energy: -180.148
Base-Backbone interact. energy: -1.340
local terms energy: -216.864532
where:
bonds (distance) C4'-P energy: -50.267
bonds (distance) P-C4' energy: -45.568
flat angles C4'-P-C4' energy: -51.589
flat angles P-C4'-P energy: -28.830
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: 8, replica: 4
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -519.019702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.019702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.019702 (E_RNA)
where:
Base-Base interactions energy: -329.213
where: short stacking energy: -142.361
Base-Backbone interact. energy: 0.216
local terms energy: -190.021915
where:
bonds (distance) C4'-P energy: -39.229
bonds (distance) P-C4' energy: -52.243
flat angles C4'-P-C4' energy: -42.378
flat angles P-C4'-P energy: -31.953
tors. eta vs tors. theta energy: -24.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -375.233097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.233097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.233097 (E_RNA)
where:
Base-Base interactions energy: -223.738
where: short stacking energy: -90.951
Base-Backbone interact. energy: -1.550
local terms energy: -149.944780
where:
bonds (distance) C4'-P energy: -48.883
bonds (distance) P-C4' energy: -32.331
flat angles C4'-P-C4' energy: -43.702
flat angles P-C4'-P energy: -25.899
tors. eta vs tors. theta energy: 0.869
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: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -326.515121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.515121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.515121 (E_RNA)
where:
Base-Base interactions energy: -145.541
where: short stacking energy: -93.464
Base-Backbone interact. energy: -2.199
local terms energy: -178.775210
where:
bonds (distance) C4'-P energy: -37.516
bonds (distance) P-C4' energy: -54.471
flat angles C4'-P-C4' energy: -48.604
flat angles P-C4'-P energy: -26.117
tors. eta vs tors. theta energy: -12.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -961.876824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.876824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.876824 (E_RNA)
where:
Base-Base interactions energy: -662.286
where: short stacking energy: -279.228
Base-Backbone interact. energy: -0.916
local terms energy: -298.674605
where:
bonds (distance) C4'-P energy: -55.421
bonds (distance) P-C4' energy: -47.888
flat angles C4'-P-C4' energy: -68.018
flat angles P-C4'-P energy: -43.659
tors. eta vs tors. theta energy: -83.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -915.213867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.213867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.213867 (E_RNA)
where:
Base-Base interactions energy: -656.168
where: short stacking energy: -253.046
Base-Backbone interact. energy: -0.670
local terms energy: -258.376122
where:
bonds (distance) C4'-P energy: -42.882
bonds (distance) P-C4' energy: -41.294
flat angles C4'-P-C4' energy: -58.465
flat angles P-C4'-P energy: -41.189
tors. eta vs tors. theta energy: -74.546
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: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -873.017010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.017010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.017010 (E_RNA)
where:
Base-Base interactions energy: -620.178
where: short stacking energy: -240.133
Base-Backbone interact. energy: 0.176
local terms energy: -253.014465
where:
bonds (distance) C4'-P energy: -40.298
bonds (distance) P-C4' energy: -50.435
flat angles C4'-P-C4' energy: -53.386
flat angles P-C4'-P energy: -39.082
tors. eta vs tors. theta energy: -69.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -862.952032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.952032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.952032 (E_RNA)
where:
Base-Base interactions energy: -603.616
where: short stacking energy: -256.101
Base-Backbone interact. energy: -1.516
local terms energy: -257.820531
where:
bonds (distance) C4'-P energy: -38.316
bonds (distance) P-C4' energy: -43.742
flat angles C4'-P-C4' energy: -62.253
flat angles P-C4'-P energy: -36.141
tors. eta vs tors. theta energy: -77.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -787.060533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.060533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.060533 (E_RNA)
where:
Base-Base interactions energy: -537.694
where: short stacking energy: -228.274
Base-Backbone interact. energy: -1.521
local terms energy: -247.845542
where:
bonds (distance) C4'-P energy: -51.965
bonds (distance) P-C4' energy: -42.248
flat angles C4'-P-C4' energy: -53.807
flat angles P-C4'-P energy: -35.976
tors. eta vs tors. theta energy: -63.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -705.809227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.809227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.809227 (E_RNA)
where:
Base-Base interactions energy: -477.878
where: short stacking energy: -208.292
Base-Backbone interact. energy: -1.061
local terms energy: -226.870814
where:
bonds (distance) C4'-P energy: -40.540
bonds (distance) P-C4' energy: -47.432
flat angles C4'-P-C4' energy: -50.743
flat angles P-C4'-P energy: -35.889
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: 7, replica: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -646.625662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.625662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.625662 (E_RNA)
where:
Base-Base interactions energy: -425.730
where: short stacking energy: -198.767
Base-Backbone interact. energy: -0.409
local terms energy: -220.486590
where:
bonds (distance) C4'-P energy: -44.046
bonds (distance) P-C4' energy: -48.604
flat angles C4'-P-C4' energy: -47.072
flat angles P-C4'-P energy: -30.656
tors. eta vs tors. theta energy: -50.108
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: 4
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -544.997193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.997193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.997193 (E_RNA)
where:
Base-Base interactions energy: -350.169
where: short stacking energy: -170.697
Base-Backbone interact. energy: 1.035
local terms energy: -195.863045
where:
bonds (distance) C4'-P energy: -38.979
bonds (distance) P-C4' energy: -38.939
flat angles C4'-P-C4' energy: -51.681
flat angles P-C4'-P energy: -31.907
tors. eta vs tors. theta energy: -34.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -359.821027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.821027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.821027 (E_RNA)
where:
Base-Base interactions energy: -202.179
where: short stacking energy: -89.432
Base-Backbone interact. energy: -0.539
local terms energy: -157.103020
where:
bonds (distance) C4'-P energy: -42.802
bonds (distance) P-C4' energy: -41.282
flat angles C4'-P-C4' energy: -41.500
flat angles P-C4'-P energy: -29.413
tors. eta vs tors. theta energy: -2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -328.233361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.233361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.233361 (E_RNA)
where:
Base-Base interactions energy: -166.175
where: short stacking energy: -112.581
Base-Backbone interact. energy: 2.617
local terms energy: -164.675020
where:
bonds (distance) C4'-P energy: -44.666
bonds (distance) P-C4' energy: -34.118
flat angles C4'-P-C4' energy: -50.818
flat angles P-C4'-P energy: -16.474
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: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -956.895793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.895793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.895793 (E_RNA)
where:
Base-Base interactions energy: -649.832
where: short stacking energy: -286.278
Base-Backbone interact. energy: -2.402
local terms energy: -304.661242
where:
bonds (distance) C4'-P energy: -58.121
bonds (distance) P-C4' energy: -54.670
flat angles C4'-P-C4' energy: -60.991
flat angles P-C4'-P energy: -45.251
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: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -903.356096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.356096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.356096 (E_RNA)
where:
Base-Base interactions energy: -639.258
where: short stacking energy: -252.741
Base-Backbone interact. energy: -0.708
local terms energy: -263.390180
where:
bonds (distance) C4'-P energy: -38.470
bonds (distance) P-C4' energy: -46.771
flat angles C4'-P-C4' energy: -62.888
flat angles P-C4'-P energy: -40.895
tors. eta vs tors. theta energy: -74.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -865.204472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.204472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.204472 (E_RNA)
where:
Base-Base interactions energy: -605.648
where: short stacking energy: -254.973
Base-Backbone interact. energy: -1.473
local terms energy: -258.083498
where:
bonds (distance) C4'-P energy: -46.357
bonds (distance) P-C4' energy: -48.175
flat angles C4'-P-C4' energy: -51.497
flat angles P-C4'-P energy: -40.952
tors. eta vs tors. theta energy: -71.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -833.391686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.391686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.391686 (E_RNA)
where:
Base-Base interactions energy: -575.961
where: short stacking energy: -234.687
Base-Backbone interact. energy: -1.569
local terms energy: -255.861683
where:
bonds (distance) C4'-P energy: -58.623
bonds (distance) P-C4' energy: -41.935
flat angles C4'-P-C4' energy: -61.180
flat angles P-C4'-P energy: -29.046
tors. eta vs tors. theta energy: -65.078
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: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -769.566936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.566936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.566936 (E_RNA)
where:
Base-Base interactions energy: -513.862
where: short stacking energy: -219.650
Base-Backbone interact. energy: -0.456
local terms energy: -255.249311
where:
bonds (distance) C4'-P energy: -47.761
bonds (distance) P-C4' energy: -50.192
flat angles C4'-P-C4' energy: -56.422
flat angles P-C4'-P energy: -38.253
tors. eta vs tors. theta energy: -62.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -722.491567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.491567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.491567 (E_RNA)
where:
Base-Base interactions energy: -470.398
where: short stacking energy: -211.751
Base-Backbone interact. energy: -0.490
local terms energy: -251.602860
where:
bonds (distance) C4'-P energy: -51.336
bonds (distance) P-C4' energy: -52.390
flat angles C4'-P-C4' energy: -53.841
flat angles P-C4'-P energy: -33.978
tors. eta vs tors. theta energy: -60.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -632.075668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.075668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.075668 (E_RNA)
where:
Base-Base interactions energy: -407.497
where: short stacking energy: -186.168
Base-Backbone interact. energy: 0.653
local terms energy: -225.231871
where:
bonds (distance) C4'-P energy: -47.197
bonds (distance) P-C4' energy: -45.032
flat angles C4'-P-C4' energy: -53.087
flat angles P-C4'-P energy: -31.693
tors. eta vs tors. theta energy: -48.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -538.311429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.311429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.311429 (E_RNA)
where:
Base-Base interactions energy: -354.775
where: short stacking energy: -169.844
Base-Backbone interact. energy: 1.943
local terms energy: -185.479949
where:
bonds (distance) C4'-P energy: -42.351
bonds (distance) P-C4' energy: -31.990
flat angles C4'-P-C4' energy: -41.943
flat angles P-C4'-P energy: -28.633
tors. eta vs tors. theta energy: -40.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -379.013118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.013118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.013118 (E_RNA)
where:
Base-Base interactions energy: -210.425
where: short stacking energy: -119.207
Base-Backbone interact. energy: 1.022
local terms energy: -169.610710
where:
bonds (distance) C4'-P energy: -46.245
bonds (distance) P-C4' energy: -38.850
flat angles C4'-P-C4' energy: -35.318
flat angles P-C4'-P energy: -30.345
tors. eta vs tors. theta energy: -18.853
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: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -310.639120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.639120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.639120 (E_RNA)
where:
Base-Base interactions energy: -153.925
where: short stacking energy: -93.208
Base-Backbone interact. energy: -2.218
local terms energy: -154.495393
where:
bonds (distance) C4'-P energy: -32.521
bonds (distance) P-C4' energy: -49.576
flat angles C4'-P-C4' energy: -54.840
flat angles P-C4'-P energy: -21.628
tors. eta vs tors. theta energy: 4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -959.747132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.747132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.747132 (E_RNA)
where:
Base-Base interactions energy: -671.501
where: short stacking energy: -283.960
Base-Backbone interact. energy: 1.479
local terms energy: -289.725573
where:
bonds (distance) C4'-P energy: -54.968
bonds (distance) P-C4' energy: -50.040
flat angles C4'-P-C4' energy: -60.002
flat angles P-C4'-P energy: -37.608
tors. eta vs tors. theta energy: -87.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -880.869484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.869484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.869484 (E_RNA)
where:
Base-Base interactions energy: -601.246
where: short stacking energy: -252.096
Base-Backbone interact. energy: -0.167
local terms energy: -279.456898
where:
bonds (distance) C4'-P energy: -47.330
bonds (distance) P-C4' energy: -57.609
flat angles C4'-P-C4' energy: -62.247
flat angles P-C4'-P energy: -36.996
tors. eta vs tors. theta energy: -75.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -868.290612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.290612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.290612 (E_RNA)
where:
Base-Base interactions energy: -601.068
where: short stacking energy: -244.819
Base-Backbone interact. energy: -0.586
local terms energy: -266.636761
where:
bonds (distance) C4'-P energy: -50.066
bonds (distance) P-C4' energy: -50.786
flat angles C4'-P-C4' energy: -60.049
flat angles P-C4'-P energy: -30.384
tors. eta vs tors. theta energy: -75.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -855.493164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.493164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.493164 (E_RNA)
where:
Base-Base interactions energy: -574.529
where: short stacking energy: -235.485
Base-Backbone interact. energy: -1.129
local terms energy: -279.834852
where:
bonds (distance) C4'-P energy: -54.709
bonds (distance) P-C4' energy: -58.318
flat angles C4'-P-C4' energy: -57.953
flat angles P-C4'-P energy: -42.151
tors. eta vs tors. theta energy: -66.704
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: 6
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -769.789698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.789698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.789698 (E_RNA)
where:
Base-Base interactions energy: -518.575
where: short stacking energy: -241.841
Base-Backbone interact. energy: -1.331
local terms energy: -249.883460
where:
bonds (distance) C4'-P energy: -49.072
bonds (distance) P-C4' energy: -43.568
flat angles C4'-P-C4' energy: -49.684
flat angles P-C4'-P energy: -46.013
tors. eta vs tors. theta energy: -61.546
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: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -728.145517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.145517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.145517 (E_RNA)
where:
Base-Base interactions energy: -498.540
where: short stacking energy: -205.523
Base-Backbone interact. energy: -0.265
local terms energy: -229.340883
where:
bonds (distance) C4'-P energy: -37.956
bonds (distance) P-C4' energy: -44.876
flat angles C4'-P-C4' energy: -52.900
flat angles P-C4'-P energy: -42.302
tors. eta vs tors. theta energy: -51.307
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: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -617.128252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.128252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.128252 (E_RNA)
where:
Base-Base interactions energy: -390.717
where: short stacking energy: -173.227
Base-Backbone interact. energy: 0.633
local terms energy: -227.044194
where:
bonds (distance) C4'-P energy: -51.754
bonds (distance) P-C4' energy: -49.314
flat angles C4'-P-C4' energy: -55.049
flat angles P-C4'-P energy: -26.960
tors. eta vs tors. theta energy: -43.967
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: 4
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -523.238056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.238056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.238056 (E_RNA)
where:
Base-Base interactions energy: -330.408
where: short stacking energy: -162.993
Base-Backbone interact. energy: 0.886
local terms energy: -193.715915
where:
bonds (distance) C4'-P energy: -39.662
bonds (distance) P-C4' energy: -39.269
flat angles C4'-P-C4' energy: -47.860
flat angles P-C4'-P energy: -33.635
tors. eta vs tors. theta energy: -33.290
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: 240
Temperature: 1.300000
Total energy: -333.855544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.855544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.855544 (E_RNA)
where:
Base-Base interactions energy: -153.481
where: short stacking energy: -82.148
Base-Backbone interact. energy: -1.158
local terms energy: -179.216460
where:
bonds (distance) C4'-P energy: -46.101
bonds (distance) P-C4' energy: -50.914
flat angles C4'-P-C4' energy: -54.056
flat angles P-C4'-P energy: -26.338
tors. eta vs tors. theta energy: -1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -350.544301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.544301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.544301 (E_RNA)
where:
Base-Base interactions energy: -188.526
where: short stacking energy: -104.939
Base-Backbone interact. energy: -0.777
local terms energy: -161.240456
where:
bonds (distance) C4'-P energy: -39.389
bonds (distance) P-C4' energy: -40.874
flat angles C4'-P-C4' energy: -39.785
flat angles P-C4'-P energy: -27.178
tors. eta vs tors. theta energy: -14.014
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: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -969.918050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.918050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.918050 (E_RNA)
where:
Base-Base interactions energy: -667.643
where: short stacking energy: -286.154
Base-Backbone interact. energy: -2.259
local terms energy: -300.016109
where:
bonds (distance) C4'-P energy: -51.664
bonds (distance) P-C4' energy: -56.583
flat angles C4'-P-C4' energy: -60.255
flat angles P-C4'-P energy: -44.374
tors. eta vs tors. theta energy: -87.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -899.232571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.232571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.232571 (E_RNA)
where:
Base-Base interactions energy: -614.436
where: short stacking energy: -231.971
Base-Backbone interact. energy: -2.006
local terms energy: -282.790753
where:
bonds (distance) C4'-P energy: -51.825
bonds (distance) P-C4' energy: -63.454
flat angles C4'-P-C4' energy: -54.514
flat angles P-C4'-P energy: -44.303
tors. eta vs tors. theta energy: -68.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -871.703223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.703223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.703223 (E_RNA)
where:
Base-Base interactions energy: -602.209
where: short stacking energy: -258.430
Base-Backbone interact. energy: -1.518
local terms energy: -267.976485
where:
bonds (distance) C4'-P energy: -49.492
bonds (distance) P-C4' energy: -45.008
flat angles C4'-P-C4' energy: -52.840
flat angles P-C4'-P energy: -38.395
tors. eta vs tors. theta energy: -82.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -849.054758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.054758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.054758 (E_RNA)
where:
Base-Base interactions energy: -586.203
where: short stacking energy: -238.514
Base-Backbone interact. energy: -1.372
local terms energy: -261.479761
where:
bonds (distance) C4'-P energy: -48.014
bonds (distance) P-C4' energy: -46.907
flat angles C4'-P-C4' energy: -54.891
flat angles P-C4'-P energy: -42.594
tors. eta vs tors. theta energy: -69.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -774.660461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.660461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.660461 (E_RNA)
where:
Base-Base interactions energy: -514.563
where: short stacking energy: -228.176
Base-Backbone interact. energy: 1.202
local terms energy: -261.299252
where:
bonds (distance) C4'-P energy: -46.299
bonds (distance) P-C4' energy: -53.697
flat angles C4'-P-C4' energy: -54.534
flat angles P-C4'-P energy: -41.910
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: 6, replica: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -714.572120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.572120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.572120 (E_RNA)
where:
Base-Base interactions energy: -501.153
where: short stacking energy: -225.542
Base-Backbone interact. energy: -0.490
local terms energy: -212.929357
where:
bonds (distance) C4'-P energy: -30.686
bonds (distance) P-C4' energy: -38.455
flat angles C4'-P-C4' energy: -46.768
flat angles P-C4'-P energy: -38.319
tors. eta vs tors. theta energy: -58.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -615.903275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.903275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.903275 (E_RNA)
where:
Base-Base interactions energy: -399.259
where: short stacking energy: -169.373
Base-Backbone interact. energy: -1.398
local terms energy: -215.247141
where:
bonds (distance) C4'-P energy: -35.264
bonds (distance) P-C4' energy: -52.311
flat angles C4'-P-C4' energy: -47.323
flat angles P-C4'-P energy: -36.433
tors. eta vs tors. theta energy: -43.917
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: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -569.486111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.486111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.486111 (E_RNA)
where:
Base-Base interactions energy: -367.707
where: short stacking energy: -176.479
Base-Backbone interact. energy: -1.472
local terms energy: -200.307272
where:
bonds (distance) C4'-P energy: -39.042
bonds (distance) P-C4' energy: -52.624
flat angles C4'-P-C4' energy: -45.641
flat angles P-C4'-P energy: -29.055
tors. eta vs tors. theta energy: -33.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -334.874102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.874102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.874102 (E_RNA)
where:
Base-Base interactions energy: -175.771
where: short stacking energy: -112.776
Base-Backbone interact. energy: -0.343
local terms energy: -158.760499
where:
bonds (distance) C4'-P energy: -35.197
bonds (distance) P-C4' energy: -39.612
flat angles C4'-P-C4' energy: -41.709
flat angles P-C4'-P energy: -30.125
tors. eta vs tors. theta energy: -12.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -325.012447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.012447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.012447 (E_RNA)
where:
Base-Base interactions energy: -161.680
where: short stacking energy: -71.104
Base-Backbone interact. energy: 1.776
local terms energy: -165.109043
where:
bonds (distance) C4'-P energy: -41.504
bonds (distance) P-C4' energy: -49.517
flat angles C4'-P-C4' energy: -43.414
flat angles P-C4'-P energy: -33.084
tors. eta vs tors. theta energy: 2.411
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: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -947.729330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.729330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.729330 (E_RNA)
where:
Base-Base interactions energy: -648.429
where: short stacking energy: -278.489
Base-Backbone interact. energy: -0.134
local terms energy: -299.166359
where:
bonds (distance) C4'-P energy: -55.178
bonds (distance) P-C4' energy: -61.780
flat angles C4'-P-C4' energy: -59.911
flat angles P-C4'-P energy: -40.482
tors. eta vs tors. theta energy: -81.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -907.848763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.848763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.848763 (E_RNA)
where:
Base-Base interactions energy: -634.545
where: short stacking energy: -249.135
Base-Backbone interact. energy: 0.149
local terms energy: -273.452718
where:
bonds (distance) C4'-P energy: -53.264
bonds (distance) P-C4' energy: -56.667
flat angles C4'-P-C4' energy: -56.902
flat angles P-C4'-P energy: -34.904
tors. eta vs tors. theta energy: -71.715
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: 242
Temperature: 1.000000
Total energy: -860.091281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.091281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.091281 (E_RNA)
where:
Base-Base interactions energy: -599.096
where: short stacking energy: -247.621
Base-Backbone interact. energy: -0.768
local terms energy: -260.227038
where:
bonds (distance) C4'-P energy: -48.866
bonds (distance) P-C4' energy: -45.876
flat angles C4'-P-C4' energy: -57.677
flat angles P-C4'-P energy: -40.650
tors. eta vs tors. theta energy: -67.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -875.981180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.981180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.981180 (E_RNA)
where:
Base-Base interactions energy: -592.517
where: short stacking energy: -252.588
Base-Backbone interact. energy: -1.326
local terms energy: -282.138171
where:
bonds (distance) C4'-P energy: -59.367
bonds (distance) P-C4' energy: -53.412
flat angles C4'-P-C4' energy: -55.381
flat angles P-C4'-P energy: -39.234
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: 5, replica: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -770.860534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.860534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.860534 (E_RNA)
where:
Base-Base interactions energy: -507.615
where: short stacking energy: -228.923
Base-Backbone interact. energy: 2.589
local terms energy: -265.834798
where:
bonds (distance) C4'-P energy: -52.250
bonds (distance) P-C4' energy: -51.948
flat angles C4'-P-C4' energy: -57.064
flat angles P-C4'-P energy: -42.156
tors. eta vs tors. theta energy: -62.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -750.230919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.230919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.230919 (E_RNA)
where:
Base-Base interactions energy: -501.010
where: short stacking energy: -220.142
Base-Backbone interact. energy: 0.933
local terms energy: -250.153948
where:
bonds (distance) C4'-P energy: -54.894
bonds (distance) P-C4' energy: -45.463
flat angles C4'-P-C4' energy: -56.288
flat angles P-C4'-P energy: -32.098
tors. eta vs tors. theta energy: -61.411
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: 242
Temperature: 1.200000
Total energy: -601.183315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.183315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.183315 (E_RNA)
where:
Base-Base interactions energy: -396.669
where: short stacking energy: -172.080
Base-Backbone interact. energy: -0.322
local terms energy: -204.192509
where:
bonds (distance) C4'-P energy: -49.363
bonds (distance) P-C4' energy: -41.547
flat angles C4'-P-C4' energy: -49.653
flat angles P-C4'-P energy: -27.759
tors. eta vs tors. theta energy: -35.871
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: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -558.661480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.661480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.661480 (E_RNA)
where:
Base-Base interactions energy: -344.280
where: short stacking energy: -167.618
Base-Backbone interact. energy: -1.244
local terms energy: -213.137504
where:
bonds (distance) C4'-P energy: -39.857
bonds (distance) P-C4' energy: -45.263
flat angles C4'-P-C4' energy: -45.706
flat angles P-C4'-P energy: -34.720
tors. eta vs tors. theta energy: -47.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -329.462621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.462621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.462621 (E_RNA)
where:
Base-Base interactions energy: -154.215
where: short stacking energy: -89.340
Base-Backbone interact. energy: 1.655
local terms energy: -176.903281
where:
bonds (distance) C4'-P energy: -37.506
bonds (distance) P-C4' energy: -51.734
flat angles C4'-P-C4' energy: -49.306
flat angles P-C4'-P energy: -28.526
tors. eta vs tors. theta energy: -9.832
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: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -299.893148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.893148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.893148 (E_RNA)
where:
Base-Base interactions energy: -164.830
where: short stacking energy: -78.215
Base-Backbone interact. energy: 0.096
local terms energy: -135.159147
where:
bonds (distance) C4'-P energy: -38.327
bonds (distance) P-C4' energy: -34.632
flat angles C4'-P-C4' energy: -44.511
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -949.925804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.925804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.925804 (E_RNA)
where:
Base-Base interactions energy: -662.874
where: short stacking energy: -283.051
Base-Backbone interact. energy: -2.152
local terms energy: -284.899322
where:
bonds (distance) C4'-P energy: -55.296
bonds (distance) P-C4' energy: -50.841
flat angles C4'-P-C4' energy: -57.001
flat angles P-C4'-P energy: -40.600
tors. eta vs tors. theta energy: -81.161
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: 2, replica: 5
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -902.991885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.991885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.991885 (E_RNA)
where:
Base-Base interactions energy: -623.736
where: short stacking energy: -266.682
Base-Backbone interact. energy: -1.533
local terms energy: -277.722557
where:
bonds (distance) C4'-P energy: -45.968
bonds (distance) P-C4' energy: -48.018
flat angles C4'-P-C4' energy: -64.569
flat angles P-C4'-P energy: -41.814
tors. eta vs tors. theta energy: -77.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -875.525731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.525731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.525731 (E_RNA)
where:
Base-Base interactions energy: -615.436
where: short stacking energy: -248.513
Base-Backbone interact. energy: -1.903
local terms energy: -258.186263
where:
bonds (distance) C4'-P energy: -47.680
bonds (distance) P-C4' energy: -44.857
flat angles C4'-P-C4' energy: -63.760
flat angles P-C4'-P energy: -34.458
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: 4, replica: 10
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -797.389981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.389981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.389981 (E_RNA)
where:
Base-Base interactions energy: -537.854
where: short stacking energy: -231.970
Base-Backbone interact. energy: -0.798
local terms energy: -258.738055
where:
bonds (distance) C4'-P energy: -47.447
bonds (distance) P-C4' energy: -51.521
flat angles C4'-P-C4' energy: -57.100
flat angles P-C4'-P energy: -39.454
tors. eta vs tors. theta energy: -63.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -827.660438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.660438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.660438 (E_RNA)
where:
Base-Base interactions energy: -564.701
where: short stacking energy: -227.859
Base-Backbone interact. energy: -3.280
local terms energy: -259.678794
where:
bonds (distance) C4'-P energy: -53.212
bonds (distance) P-C4' energy: -54.533
flat angles C4'-P-C4' energy: -57.562
flat angles P-C4'-P energy: -29.260
tors. eta vs tors. theta energy: -65.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -731.572063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.572063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.572063 (E_RNA)
where:
Base-Base interactions energy: -499.729
where: short stacking energy: -217.124
Base-Backbone interact. energy: -1.088
local terms energy: -230.754308
where:
bonds (distance) C4'-P energy: -44.438
bonds (distance) P-C4' energy: -43.949
flat angles C4'-P-C4' energy: -55.042
flat angles P-C4'-P energy: -31.317
tors. eta vs tors. theta energy: -56.009
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: 7
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -618.753074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.753074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.753074 (E_RNA)
where:
Base-Base interactions energy: -403.654
where: short stacking energy: -171.840
Base-Backbone interact. energy: -0.123
local terms energy: -214.975985
where:
bonds (distance) C4'-P energy: -40.207
bonds (distance) P-C4' energy: -50.608
flat angles C4'-P-C4' energy: -47.454
flat angles P-C4'-P energy: -30.242
tors. eta vs tors. theta energy: -46.465
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: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -546.866934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.866934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.866934 (E_RNA)
where:
Base-Base interactions energy: -338.213
where: short stacking energy: -152.907
Base-Backbone interact. energy: -0.668
local terms energy: -207.985839
where:
bonds (distance) C4'-P energy: -42.619
bonds (distance) P-C4' energy: -45.656
flat angles C4'-P-C4' energy: -45.473
flat angles P-C4'-P energy: -29.751
tors. eta vs tors. theta energy: -44.486
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: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -323.422788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.422788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.422788 (E_RNA)
where:
Base-Base interactions energy: -159.654
where: short stacking energy: -104.362
Base-Backbone interact. energy: -1.811
local terms energy: -161.957704
where:
bonds (distance) C4'-P energy: -45.903
bonds (distance) P-C4' energy: -46.730
flat angles C4'-P-C4' energy: -47.276
flat angles P-C4'-P energy: -20.146
tors. eta vs tors. theta energy: -1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -291.834886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.834886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.834886 (E_RNA)
where:
Base-Base interactions energy: -133.531
where: short stacking energy: -91.125
Base-Backbone interact. energy: 1.793
local terms energy: -160.097299
where:
bonds (distance) C4'-P energy: -44.090
bonds (distance) P-C4' energy: -40.980
flat angles C4'-P-C4' energy: -42.325
flat angles P-C4'-P energy: -27.102
tors. eta vs tors. theta energy: -5.600
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: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -939.497646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.497646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.497646 (E_RNA)
where:
Base-Base interactions energy: -657.069
where: short stacking energy: -268.667
Base-Backbone interact. energy: -0.126
local terms energy: -282.302899
where:
bonds (distance) C4'-P energy: -53.764
bonds (distance) P-C4' energy: -56.156
flat angles C4'-P-C4' energy: -60.091
flat angles P-C4'-P energy: -29.479
tors. eta vs tors. theta energy: -82.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -898.007581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.007581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.007581 (E_RNA)
where:
Base-Base interactions energy: -633.006
where: short stacking energy: -261.700
Base-Backbone interact. energy: -1.751
local terms energy: -263.250571
where:
bonds (distance) C4'-P energy: -51.538
bonds (distance) P-C4' energy: -44.479
flat angles C4'-P-C4' energy: -57.596
flat angles P-C4'-P energy: -38.446
tors. eta vs tors. theta energy: -71.191
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: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -868.416886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.416886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.416886 (E_RNA)
where:
Base-Base interactions energy: -615.289
where: short stacking energy: -234.845
Base-Backbone interact. energy: 0.303
local terms energy: -253.431643
where:
bonds (distance) C4'-P energy: -43.892
bonds (distance) P-C4' energy: -50.498
flat angles C4'-P-C4' energy: -54.011
flat angles P-C4'-P energy: -35.292
tors. eta vs tors. theta energy: -69.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -800.263993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.263993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.263993 (E_RNA)
where:
Base-Base interactions energy: -553.322
where: short stacking energy: -230.137
Base-Backbone interact. energy: -0.258
local terms energy: -246.683273
where:
bonds (distance) C4'-P energy: -46.838
bonds (distance) P-C4' energy: -47.449
flat angles C4'-P-C4' energy: -55.149
flat angles P-C4'-P energy: -32.147
tors. eta vs tors. theta energy: -65.099
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: 1
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -856.893036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.893036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.893036 (E_RNA)
where:
Base-Base interactions energy: -600.104
where: short stacking energy: -249.487
Base-Backbone interact. energy: 1.283
local terms energy: -258.071933
where:
bonds (distance) C4'-P energy: -45.481
bonds (distance) P-C4' energy: -44.276
flat angles C4'-P-C4' energy: -57.491
flat angles P-C4'-P energy: -37.607
tors. eta vs tors. theta energy: -73.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -738.736762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.736762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.736762 (E_RNA)
where:
Base-Base interactions energy: -500.254
where: short stacking energy: -199.391
Base-Backbone interact. energy: 0.975
local terms energy: -239.457877
where:
bonds (distance) C4'-P energy: -53.248
bonds (distance) P-C4' energy: -43.710
flat angles C4'-P-C4' energy: -49.479
flat angles P-C4'-P energy: -31.926
tors. eta vs tors. theta energy: -61.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -685.097403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.097403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.097403 (E_RNA)
where:
Base-Base interactions energy: -455.444
where: short stacking energy: -187.690
Base-Backbone interact. energy: 0.109
local terms energy: -229.761861
where:
bonds (distance) C4'-P energy: -48.663
bonds (distance) P-C4' energy: -59.452
flat angles C4'-P-C4' energy: -55.130
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -49.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -477.621959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.621959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.621959 (E_RNA)
where:
Base-Base interactions energy: -287.936
where: short stacking energy: -134.081
Base-Backbone interact. energy: -3.120
local terms energy: -186.566314
where:
bonds (distance) C4'-P energy: -45.336
bonds (distance) P-C4' energy: -29.429
flat angles C4'-P-C4' energy: -53.138
flat angles P-C4'-P energy: -33.216
tors. eta vs tors. theta energy: -25.447
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: 9, replica: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -328.132839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.132839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.132839 (E_RNA)
where:
Base-Base interactions energy: -153.317
where: short stacking energy: -97.928
Base-Backbone interact. energy: -0.045
local terms energy: -174.770815
where:
bonds (distance) C4'-P energy: -40.404
bonds (distance) P-C4' energy: -47.096
flat angles C4'-P-C4' energy: -40.339
flat angles P-C4'-P energy: -26.848
tors. eta vs tors. theta energy: -20.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -310.550621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.550621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.550621 (E_RNA)
where:
Base-Base interactions energy: -151.182
where: short stacking energy: -92.399
Base-Backbone interact. energy: 0.981
local terms energy: -160.349040
where:
bonds (distance) C4'-P energy: -49.243
bonds (distance) P-C4' energy: -48.697
flat angles C4'-P-C4' energy: -35.832
flat angles P-C4'-P energy: -25.702
tors. eta vs tors. theta energy: -0.875
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: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -954.357539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.357539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.357539 (E_RNA)
where:
Base-Base interactions energy: -676.488
where: short stacking energy: -278.292
Base-Backbone interact. energy: -2.760
local terms energy: -275.109907
where:
bonds (distance) C4'-P energy: -50.213
bonds (distance) P-C4' energy: -48.522
flat angles C4'-P-C4' energy: -59.834
flat angles P-C4'-P energy: -39.658
tors. eta vs tors. theta energy: -76.883
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: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -914.995807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.995807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.995807 (E_RNA)
where:
Base-Base interactions energy: -635.682
where: short stacking energy: -252.897
Base-Backbone interact. energy: -0.543
local terms energy: -278.770406
where:
bonds (distance) C4'-P energy: -52.741
bonds (distance) P-C4' energy: -51.312
flat angles C4'-P-C4' energy: -57.519
flat angles P-C4'-P energy: -43.750
tors. eta vs tors. theta energy: -73.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -874.880028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.880028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.880028 (E_RNA)
where:
Base-Base interactions energy: -617.365
where: short stacking energy: -229.889
Base-Backbone interact. energy: -2.060
local terms energy: -255.454627
where:
bonds (distance) C4'-P energy: -54.152
bonds (distance) P-C4' energy: -48.618
flat angles C4'-P-C4' energy: -48.698
flat angles P-C4'-P energy: -43.570
tors. eta vs tors. theta energy: -60.416
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: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -836.725641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.725641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.725641 (E_RNA)
where:
Base-Base interactions energy: -584.579
where: short stacking energy: -253.589
Base-Backbone interact. energy: -0.909
local terms energy: -251.237408
where:
bonds (distance) C4'-P energy: -50.066
bonds (distance) P-C4' energy: -46.498
flat angles C4'-P-C4' energy: -43.612
flat angles P-C4'-P energy: -35.850
tors. eta vs tors. theta energy: -75.211
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: 5, replica: 10
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -785.373567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.373567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.373567 (E_RNA)
where:
Base-Base interactions energy: -534.677
where: short stacking energy: -235.034
Base-Backbone interact. energy: -2.312
local terms energy: -248.384718
where:
bonds (distance) C4'-P energy: -37.334
bonds (distance) P-C4' energy: -59.800
flat angles C4'-P-C4' energy: -52.728
flat angles P-C4'-P energy: -35.099
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: 7
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -661.836431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.836431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.836431 (E_RNA)
where:
Base-Base interactions energy: -453.432
where: short stacking energy: -195.014
Base-Backbone interact. energy: -1.616
local terms energy: -206.789126
where:
bonds (distance) C4'-P energy: -40.870
bonds (distance) P-C4' energy: -39.253
flat angles C4'-P-C4' energy: -49.616
flat angles P-C4'-P energy: -33.781
tors. eta vs tors. theta energy: -43.269
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: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -690.671179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.671179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.671179 (E_RNA)
where:
Base-Base interactions energy: -488.436
where: short stacking energy: -218.003
Base-Backbone interact. energy: 1.719
local terms energy: -203.954196
where:
bonds (distance) C4'-P energy: -38.862
bonds (distance) P-C4' energy: -33.366
flat angles C4'-P-C4' energy: -52.623
flat angles P-C4'-P energy: -24.956
tors. eta vs tors. theta energy: -54.147
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: 4
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -519.541585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.541585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.541585 (E_RNA)
where:
Base-Base interactions energy: -319.972
where: short stacking energy: -139.119
Base-Backbone interact. energy: 0.653
local terms energy: -200.222264
where:
bonds (distance) C4'-P energy: -49.999
bonds (distance) P-C4' energy: -53.136
flat angles C4'-P-C4' energy: -38.408
flat angles P-C4'-P energy: -23.891
tors. eta vs tors. theta energy: -34.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -331.572951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.572951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.572951 (E_RNA)
where:
Base-Base interactions energy: -162.219
where: short stacking energy: -112.513
Base-Backbone interact. energy: -0.241
local terms energy: -169.113106
where:
bonds (distance) C4'-P energy: -43.049
bonds (distance) P-C4' energy: -44.560
flat angles C4'-P-C4' energy: -38.517
flat angles P-C4'-P energy: -26.428
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -295.230247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.230247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.230247 (E_RNA)
where:
Base-Base interactions energy: -127.467
where: short stacking energy: -84.902
Base-Backbone interact. energy: 0.652
local terms energy: -168.415828
where:
bonds (distance) C4'-P energy: -44.107
bonds (distance) P-C4' energy: -55.323
flat angles C4'-P-C4' energy: -42.964
flat angles P-C4'-P energy: -20.609
tors. eta vs tors. theta energy: -5.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -950.600543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.600543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.600543 (E_RNA)
where:
Base-Base interactions energy: -668.187
where: short stacking energy: -276.225
Base-Backbone interact. energy: -0.603
local terms energy: -281.810255
where:
bonds (distance) C4'-P energy: -47.095
bonds (distance) P-C4' energy: -53.536
flat angles C4'-P-C4' energy: -63.192
flat angles P-C4'-P energy: -35.984
tors. eta vs tors. theta energy: -82.003
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: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -898.437518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.437518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.437518 (E_RNA)
where:
Base-Base interactions energy: -630.671
where: short stacking energy: -256.839
Base-Backbone interact. energy: -0.635
local terms energy: -267.131051
where:
bonds (distance) C4'-P energy: -53.147
bonds (distance) P-C4' energy: -46.641
flat angles C4'-P-C4' energy: -56.080
flat angles P-C4'-P energy: -35.178
tors. eta vs tors. theta energy: -76.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -855.449131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.449131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.449131 (E_RNA)
where:
Base-Base interactions energy: -590.101
where: short stacking energy: -223.260
Base-Backbone interact. energy: -3.611
local terms energy: -261.736856
where:
bonds (distance) C4'-P energy: -51.914
bonds (distance) P-C4' energy: -56.823
flat angles C4'-P-C4' energy: -48.307
flat angles P-C4'-P energy: -37.519
tors. eta vs tors. theta energy: -67.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -853.913720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.913720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.913720 (E_RNA)
where:
Base-Base interactions energy: -599.369
where: short stacking energy: -240.850
Base-Backbone interact. energy: -1.172
local terms energy: -253.372469
where:
bonds (distance) C4'-P energy: -35.730
bonds (distance) P-C4' energy: -48.061
flat angles C4'-P-C4' energy: -56.177
flat angles P-C4'-P energy: -45.560
tors. eta vs tors. theta energy: -67.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -783.088711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.088711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.088711 (E_RNA)
where:
Base-Base interactions energy: -543.664
where: short stacking energy: -238.762
Base-Backbone interact. energy: 2.036
local terms energy: -241.460375
where:
bonds (distance) C4'-P energy: -48.276
bonds (distance) P-C4' energy: -48.439
flat angles C4'-P-C4' energy: -48.773
flat angles P-C4'-P energy: -29.786
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: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -653.043050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.043050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.043050 (E_RNA)
where:
Base-Base interactions energy: -436.642
where: short stacking energy: -198.547
Base-Backbone interact. energy: 2.506
local terms energy: -218.907472
where:
bonds (distance) C4'-P energy: -45.612
bonds (distance) P-C4' energy: -40.178
flat angles C4'-P-C4' energy: -51.492
flat angles P-C4'-P energy: -31.656
tors. eta vs tors. theta energy: -49.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -674.578107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.578107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.578107 (E_RNA)
where:
Base-Base interactions energy: -447.721
where: short stacking energy: -203.058
Base-Backbone interact. energy: -0.571
local terms energy: -226.285832
where:
bonds (distance) C4'-P energy: -39.259
bonds (distance) P-C4' energy: -50.371
flat angles C4'-P-C4' energy: -40.893
flat angles P-C4'-P energy: -32.103
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: 8, replica: 4
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -519.378598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.378598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.378598 (E_RNA)
where:
Base-Base interactions energy: -321.393
where: short stacking energy: -153.525
Base-Backbone interact. energy: -0.765
local terms energy: -197.220950
where:
bonds (distance) C4'-P energy: -42.558
bonds (distance) P-C4' energy: -61.527
flat angles C4'-P-C4' energy: -37.307
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -37.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -322.987544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.987544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.987544 (E_RNA)
where:
Base-Base interactions energy: -149.156
where: short stacking energy: -87.399
Base-Backbone interact. energy: -1.463
local terms energy: -172.368408
where:
bonds (distance) C4'-P energy: -42.315
bonds (distance) P-C4' energy: -49.340
flat angles C4'-P-C4' energy: -47.937
flat angles P-C4'-P energy: -25.125
tors. eta vs tors. theta energy: -7.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -313.744297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.744297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.744297 (E_RNA)
where:
Base-Base interactions energy: -160.084
where: short stacking energy: -86.143
Base-Backbone interact. energy: 0.900
local terms energy: -154.560254
where:
bonds (distance) C4'-P energy: -43.655
bonds (distance) P-C4' energy: -52.978
flat angles C4'-P-C4' energy: -35.437
flat angles P-C4'-P energy: -17.474
tors. eta vs tors. theta energy: -5.017
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: 3
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -943.127780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.127780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.127780 (E_RNA)
where:
Base-Base interactions energy: -670.202
where: short stacking energy: -269.215
Base-Backbone interact. energy: -1.465
local terms energy: -271.461137
where:
bonds (distance) C4'-P energy: -45.912
bonds (distance) P-C4' energy: -51.567
flat angles C4'-P-C4' energy: -58.208
flat angles P-C4'-P energy: -33.454
tors. eta vs tors. theta energy: -82.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -893.416035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.416035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.416035 (E_RNA)
where:
Base-Base interactions energy: -627.936
where: short stacking energy: -257.577
Base-Backbone interact. energy: -1.397
local terms energy: -264.083241
where:
bonds (distance) C4'-P energy: -52.618
bonds (distance) P-C4' energy: -45.112
flat angles C4'-P-C4' energy: -56.312
flat angles P-C4'-P energy: -33.905
tors. eta vs tors. theta energy: -76.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -861.900427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.900427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.900427 (E_RNA)
where:
Base-Base interactions energy: -599.073
where: short stacking energy: -255.551
Base-Backbone interact. energy: -0.289
local terms energy: -262.538474
where:
bonds (distance) C4'-P energy: -45.661
bonds (distance) P-C4' energy: -47.445
flat angles C4'-P-C4' energy: -61.023
flat angles P-C4'-P energy: -32.498
tors. eta vs tors. theta energy: -75.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -846.125701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.125701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.125701 (E_RNA)
where:
Base-Base interactions energy: -589.799
where: short stacking energy: -226.030
Base-Backbone interact. energy: -1.458
local terms energy: -254.869158
where:
bonds (distance) C4'-P energy: -39.475
bonds (distance) P-C4' energy: -48.946
flat angles C4'-P-C4' energy: -56.280
flat angles P-C4'-P energy: -40.715
tors. eta vs tors. theta energy: -69.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -787.692665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.692665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.692665 (E_RNA)
where:
Base-Base interactions energy: -533.237
where: short stacking energy: -244.448
Base-Backbone interact. energy: -1.093
local terms energy: -253.363107
where:
bonds (distance) C4'-P energy: -42.646
bonds (distance) P-C4' energy: -49.017
flat angles C4'-P-C4' energy: -56.996
flat angles P-C4'-P energy: -35.605
tors. eta vs tors. theta energy: -69.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -726.603861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.603861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.603861 (E_RNA)
where:
Base-Base interactions energy: -501.140
where: short stacking energy: -220.115
Base-Backbone interact. energy: -1.325
local terms energy: -224.137972
where:
bonds (distance) C4'-P energy: -46.944
bonds (distance) P-C4' energy: -33.782
flat angles C4'-P-C4' energy: -48.698
flat angles P-C4'-P energy: -36.009
tors. eta vs tors. theta energy: -58.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -646.415649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.415649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.415649 (E_RNA)
where:
Base-Base interactions energy: -439.023
where: short stacking energy: -189.157
Base-Backbone interact. energy: 1.484
local terms energy: -208.875976
where:
bonds (distance) C4'-P energy: -37.326
bonds (distance) P-C4' energy: -51.636
flat angles C4'-P-C4' energy: -49.082
flat angles P-C4'-P energy: -29.140
tors. eta vs tors. theta energy: -41.693
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: 8, replica: 4
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -492.310612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.310612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.310612 (E_RNA)
where:
Base-Base interactions energy: -294.933
where: short stacking energy: -139.945
Base-Backbone interact. energy: 0.060
local terms energy: -197.437662
where:
bonds (distance) C4'-P energy: -41.693
bonds (distance) P-C4' energy: -56.337
flat angles C4'-P-C4' energy: -37.986
flat angles P-C4'-P energy: -26.280
tors. eta vs tors. theta energy: -35.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -285.921196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.921196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.921196 (E_RNA)
where:
Base-Base interactions energy: -126.411
where: short stacking energy: -84.104
Base-Backbone interact. energy: -0.511
local terms energy: -158.998901
where:
bonds (distance) C4'-P energy: -50.683
bonds (distance) P-C4' energy: -44.947
flat angles C4'-P-C4' energy: -45.229
flat angles P-C4'-P energy: -21.588
tors. eta vs tors. theta energy: 3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -294.093488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.093488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.093488 (E_RNA)
where:
Base-Base interactions energy: -150.695
where: short stacking energy: -83.838
Base-Backbone interact. energy: -0.689
local terms energy: -142.708950
where:
bonds (distance) C4'-P energy: -35.878
bonds (distance) P-C4' energy: -46.251
flat angles C4'-P-C4' energy: -30.078
flat angles P-C4'-P energy: -24.428
tors. eta vs tors. theta energy: -6.073
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: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -938.936910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.936910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.936910 (E_RNA)
where:
Base-Base interactions energy: -646.044
where: short stacking energy: -271.883
Base-Backbone interact. energy: -2.464
local terms energy: -290.428547
where:
bonds (distance) C4'-P energy: -51.288
bonds (distance) P-C4' energy: -55.956
flat angles C4'-P-C4' energy: -58.943
flat angles P-C4'-P energy: -40.371
tors. eta vs tors. theta energy: -83.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -893.581403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.581403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.581403 (E_RNA)
where:
Base-Base interactions energy: -608.547
where: short stacking energy: -245.125
Base-Backbone interact. energy: -1.648
local terms energy: -283.386539
where:
bonds (distance) C4'-P energy: -52.339
bonds (distance) P-C4' energy: -56.500
flat angles C4'-P-C4' energy: -56.590
flat angles P-C4'-P energy: -42.935
tors. eta vs tors. theta energy: -75.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -874.330905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.330905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.330905 (E_RNA)
where:
Base-Base interactions energy: -606.881
where: short stacking energy: -248.930
Base-Backbone interact. energy: -2.031
local terms energy: -265.418987
where:
bonds (distance) C4'-P energy: -53.654
bonds (distance) P-C4' energy: -52.491
flat angles C4'-P-C4' energy: -49.166
flat angles P-C4'-P energy: -35.851
tors. eta vs tors. theta energy: -74.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -865.171219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.171219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.171219 (E_RNA)
where:
Base-Base interactions energy: -595.503
where: short stacking energy: -252.076
Base-Backbone interact. energy: -0.843
local terms energy: -268.825530
where:
bonds (distance) C4'-P energy: -43.319
bonds (distance) P-C4' energy: -47.886
flat angles C4'-P-C4' energy: -60.020
flat angles P-C4'-P energy: -39.263
tors. eta vs tors. theta energy: -78.337
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: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -763.091134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.091134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.091134 (E_RNA)
where:
Base-Base interactions energy: -508.606
where: short stacking energy: -228.238
Base-Backbone interact. energy: 1.055
local terms energy: -255.540707
where:
bonds (distance) C4'-P energy: -51.707
bonds (distance) P-C4' energy: -44.144
flat angles C4'-P-C4' energy: -53.392
flat angles P-C4'-P energy: -40.687
tors. eta vs tors. theta energy: -65.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -731.122468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.122468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.122468 (E_RNA)
where:
Base-Base interactions energy: -493.357
where: short stacking energy: -194.159
Base-Backbone interact. energy: 1.355
local terms energy: -239.119740
where:
bonds (distance) C4'-P energy: -47.309
bonds (distance) P-C4' energy: -48.854
flat angles C4'-P-C4' energy: -55.297
flat angles P-C4'-P energy: -37.205
tors. eta vs tors. theta energy: -50.456
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: 7
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -638.501347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.501347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.501347 (E_RNA)
where:
Base-Base interactions energy: -435.188
where: short stacking energy: -179.225
Base-Backbone interact. energy: -1.280
local terms energy: -202.033778
where:
bonds (distance) C4'-P energy: -44.364
bonds (distance) P-C4' energy: -45.722
flat angles C4'-P-C4' energy: -50.041
flat angles P-C4'-P energy: -23.478
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: 8, replica: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -540.043937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.043937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.043937 (E_RNA)
where:
Base-Base interactions energy: -343.927
where: short stacking energy: -172.037
Base-Backbone interact. energy: -1.025
local terms energy: -195.091919
where:
bonds (distance) C4'-P energy: -44.302
bonds (distance) P-C4' energy: -32.262
flat angles C4'-P-C4' energy: -46.964
flat angles P-C4'-P energy: -30.486
tors. eta vs tors. theta energy: -41.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -297.685961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.685961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.685961 (E_RNA)
where:
Base-Base interactions energy: -144.779
where: short stacking energy: -81.881
Base-Backbone interact. energy: 0.436
local terms energy: -153.343221
where:
bonds (distance) C4'-P energy: -45.868
bonds (distance) P-C4' energy: -59.986
flat angles C4'-P-C4' energy: -41.334
flat angles P-C4'-P energy: -18.989
tors. eta vs tors. theta energy: 12.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -242.040476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.040476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.040476 (E_RNA)
where:
Base-Base interactions energy: -86.717
where: short stacking energy: -71.071
Base-Backbone interact. energy: -1.753
local terms energy: -153.570563
where:
bonds (distance) C4'-P energy: -42.331
bonds (distance) P-C4' energy: -54.339
flat angles C4'-P-C4' energy: -28.331
flat angles P-C4'-P energy: -22.104
tors. eta vs tors. theta energy: -6.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -927.198839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.198839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.198839 (E_RNA)
where:
Base-Base interactions energy: -643.156
where: short stacking energy: -266.254
Base-Backbone interact. energy: -1.817
local terms energy: -282.226358
where:
bonds (distance) C4'-P energy: -47.929
bonds (distance) P-C4' energy: -53.797
flat angles C4'-P-C4' energy: -62.927
flat angles P-C4'-P energy: -33.295
tors. eta vs tors. theta energy: -84.278
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: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -888.251284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.251284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.251284 (E_RNA)
where:
Base-Base interactions energy: -623.962
where: short stacking energy: -244.255
Base-Backbone interact. energy: -1.232
local terms energy: -263.057025
where:
bonds (distance) C4'-P energy: -44.316
bonds (distance) P-C4' energy: -53.363
flat angles C4'-P-C4' energy: -56.090
flat angles P-C4'-P energy: -37.182
tors. eta vs tors. theta energy: -72.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -890.454403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.454403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.454403 (E_RNA)
where:
Base-Base interactions energy: -613.639
where: short stacking energy: -277.984
Base-Backbone interact. energy: -0.849
local terms energy: -275.965657
where:
bonds (distance) C4'-P energy: -48.802
bonds (distance) P-C4' energy: -46.771
flat angles C4'-P-C4' energy: -63.652
flat angles P-C4'-P energy: -38.828
tors. eta vs tors. theta energy: -77.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -863.886078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.886078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.886078 (E_RNA)
where:
Base-Base interactions energy: -587.339
where: short stacking energy: -255.177
Base-Backbone interact. energy: 0.075
local terms energy: -276.622230
where:
bonds (distance) C4'-P energy: -57.056
bonds (distance) P-C4' energy: -49.634
flat angles C4'-P-C4' energy: -55.421
flat angles P-C4'-P energy: -40.566
tors. eta vs tors. theta energy: -73.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -776.965372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.965372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.965372 (E_RNA)
where:
Base-Base interactions energy: -526.924
where: short stacking energy: -224.737
Base-Backbone interact. energy: -0.714
local terms energy: -249.327949
where:
bonds (distance) C4'-P energy: -47.082
bonds (distance) P-C4' energy: -51.953
flat angles C4'-P-C4' energy: -56.041
flat angles P-C4'-P energy: -29.952
tors. eta vs tors. theta energy: -64.300
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: 249
Temperature: 1.150000
Total energy: -739.083533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.083533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.083533 (E_RNA)
where:
Base-Base interactions energy: -507.273
where: short stacking energy: -219.391
Base-Backbone interact. energy: -1.276
local terms energy: -230.535357
where:
bonds (distance) C4'-P energy: -36.135
bonds (distance) P-C4' energy: -44.415
flat angles C4'-P-C4' energy: -55.429
flat angles P-C4'-P energy: -35.192
tors. eta vs tors. theta energy: -59.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -639.586345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.586345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.586345 (E_RNA)
where:
Base-Base interactions energy: -434.403
where: short stacking energy: -183.849
Base-Backbone interact. energy: -0.174
local terms energy: -205.009782
where:
bonds (distance) C4'-P energy: -40.392
bonds (distance) P-C4' energy: -37.858
flat angles C4'-P-C4' energy: -53.708
flat angles P-C4'-P energy: -31.728
tors. eta vs tors. theta energy: -41.323
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: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -548.705833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.705833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.705833 (E_RNA)
where:
Base-Base interactions energy: -341.692
where: short stacking energy: -168.883
Base-Backbone interact. energy: -0.909
local terms energy: -206.104263
where:
bonds (distance) C4'-P energy: -36.766
bonds (distance) P-C4' energy: -44.924
flat angles C4'-P-C4' energy: -49.389
flat angles P-C4'-P energy: -41.074
tors. eta vs tors. theta energy: -33.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -319.360101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.360101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.360101 (E_RNA)
where:
Base-Base interactions energy: -151.691
where: short stacking energy: -90.373
Base-Backbone interact. energy: -0.868
local terms energy: -166.801855
where:
bonds (distance) C4'-P energy: -45.975
bonds (distance) P-C4' energy: -58.611
flat angles C4'-P-C4' energy: -41.385
flat angles P-C4'-P energy: -20.262
tors. eta vs tors. theta energy: -0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -228.767956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.767956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.767956 (E_RNA)
where:
Base-Base interactions energy: -76.763
where: short stacking energy: -63.986
Base-Backbone interact. energy: 0.921
local terms energy: -152.925731
where:
bonds (distance) C4'-P energy: -47.228
bonds (distance) P-C4' energy: -40.168
flat angles C4'-P-C4' energy: -37.317
flat angles P-C4'-P energy: -35.044
tors. eta vs tors. theta energy: 6.831
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: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -925.556162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.556162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.556162 (E_RNA)
where:
Base-Base interactions energy: -624.609
where: short stacking energy: -267.923
Base-Backbone interact. energy: -2.982
local terms energy: -297.964727
where:
bonds (distance) C4'-P energy: -52.626
bonds (distance) P-C4' energy: -54.834
flat angles C4'-P-C4' energy: -60.171
flat angles P-C4'-P energy: -45.569
tors. eta vs tors. theta energy: -84.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -881.427146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.427146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.427146 (E_RNA)
where:
Base-Base interactions energy: -609.650
where: short stacking energy: -251.956
Base-Backbone interact. energy: 0.728
local terms energy: -272.504457
where:
bonds (distance) C4'-P energy: -51.228
bonds (distance) P-C4' energy: -56.119
flat angles C4'-P-C4' energy: -58.736
flat angles P-C4'-P energy: -35.407
tors. eta vs tors. theta energy: -71.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -892.897312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.897312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.897312 (E_RNA)
where:
Base-Base interactions energy: -607.859
where: short stacking energy: -254.443
Base-Backbone interact. energy: 0.004
local terms energy: -285.042543
where:
bonds (distance) C4'-P energy: -56.294
bonds (distance) P-C4' energy: -58.601
flat angles C4'-P-C4' energy: -60.514
flat angles P-C4'-P energy: -37.691
tors. eta vs tors. theta energy: -71.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -868.403130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.403130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.403130 (E_RNA)
where:
Base-Base interactions energy: -589.446
where: short stacking energy: -255.214
Base-Backbone interact. energy: -1.730
local terms energy: -277.227322
where:
bonds (distance) C4'-P energy: -53.481
bonds (distance) P-C4' energy: -50.684
flat angles C4'-P-C4' energy: -59.306
flat angles P-C4'-P energy: -38.213
tors. eta vs tors. theta energy: -75.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -782.753837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.753837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.753837 (E_RNA)
where:
Base-Base interactions energy: -529.630
where: short stacking energy: -239.139
Base-Backbone interact. energy: -2.084
local terms energy: -251.039856
where:
bonds (distance) C4'-P energy: -40.202
bonds (distance) P-C4' energy: -57.421
flat angles C4'-P-C4' energy: -58.161
flat angles P-C4'-P energy: -30.984
tors. eta vs tors. theta energy: -64.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -778.146364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.146364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.146364 (E_RNA)
where:
Base-Base interactions energy: -519.254
where: short stacking energy: -216.483
Base-Backbone interact. energy: 1.193
local terms energy: -260.085325
where:
bonds (distance) C4'-P energy: -42.194
bonds (distance) P-C4' energy: -57.965
flat angles C4'-P-C4' energy: -55.484
flat angles P-C4'-P energy: -39.597
tors. eta vs tors. theta energy: -64.846
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: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -627.983124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.983124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.983124 (E_RNA)
where:
Base-Base interactions energy: -409.730
where: short stacking energy: -188.520
Base-Backbone interact. energy: -0.540
local terms energy: -217.713676
where:
bonds (distance) C4'-P energy: -39.412
bonds (distance) P-C4' energy: -44.697
flat angles C4'-P-C4' energy: -53.287
flat angles P-C4'-P energy: -35.201
tors. eta vs tors. theta energy: -45.116
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: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -545.929923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.929923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.929923 (E_RNA)
where:
Base-Base interactions energy: -343.860
where: short stacking energy: -162.786
Base-Backbone interact. energy: 1.442
local terms energy: -203.511951
where:
bonds (distance) C4'-P energy: -37.654
bonds (distance) P-C4' energy: -50.836
flat angles C4'-P-C4' energy: -36.192
flat angles P-C4'-P energy: -36.182
tors. eta vs tors. theta energy: -42.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -246.651999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.651999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.651999 (E_RNA)
where:
Base-Base interactions energy: -97.216
where: short stacking energy: -67.877
Base-Backbone interact. energy: -0.111
local terms energy: -149.324908
where:
bonds (distance) C4'-P energy: -43.949
bonds (distance) P-C4' energy: -52.122
flat angles C4'-P-C4' energy: -34.620
flat angles P-C4'-P energy: -27.145
tors. eta vs tors. theta energy: 8.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -307.207287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.207287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.207287 (E_RNA)
where:
Base-Base interactions energy: -154.516
where: short stacking energy: -78.472
Base-Backbone interact. energy: -0.150
local terms energy: -152.541100
where:
bonds (distance) C4'-P energy: -41.988
bonds (distance) P-C4' energy: -46.568
flat angles C4'-P-C4' energy: -34.664
flat angles P-C4'-P energy: -30.273
tors. eta vs tors. theta energy: 0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -938.735241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.735241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.735241 (E_RNA)
where:
Base-Base interactions energy: -645.349
where: short stacking energy: -269.447
Base-Backbone interact. energy: -2.349
local terms energy: -291.037385
where:
bonds (distance) C4'-P energy: -54.367
bonds (distance) P-C4' energy: -56.132
flat angles C4'-P-C4' energy: -59.709
flat angles P-C4'-P energy: -39.252
tors. eta vs tors. theta energy: -81.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -920.688534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.688534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.688534 (E_RNA)
where:
Base-Base interactions energy: -637.844
where: short stacking energy: -264.248
Base-Backbone interact. energy: -0.330
local terms energy: -282.514470
where:
bonds (distance) C4'-P energy: -57.502
bonds (distance) P-C4' energy: -53.451
flat angles C4'-P-C4' energy: -54.775
flat angles P-C4'-P energy: -41.363
tors. eta vs tors. theta energy: -75.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -889.386902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.386902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.386902 (E_RNA)
where:
Base-Base interactions energy: -611.765
where: short stacking energy: -248.821
Base-Backbone interact. energy: -0.009
local terms energy: -277.613430
where:
bonds (distance) C4'-P energy: -52.856
bonds (distance) P-C4' energy: -51.474
flat angles C4'-P-C4' energy: -60.033
flat angles P-C4'-P energy: -38.496
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: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -839.498358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.498358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.498358 (E_RNA)
where:
Base-Base interactions energy: -572.096
where: short stacking energy: -226.151
Base-Backbone interact. energy: -0.494
local terms energy: -266.907996
where:
bonds (distance) C4'-P energy: -50.962
bonds (distance) P-C4' energy: -53.732
flat angles C4'-P-C4' energy: -49.941
flat angles P-C4'-P energy: -40.075
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: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -794.168700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.168700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.168700 (E_RNA)
where:
Base-Base interactions energy: -537.752
where: short stacking energy: -237.836
Base-Backbone interact. energy: -0.184
local terms energy: -256.233523
where:
bonds (distance) C4'-P energy: -44.374
bonds (distance) P-C4' energy: -49.556
flat angles C4'-P-C4' energy: -60.092
flat angles P-C4'-P energy: -38.636
tors. eta vs tors. theta energy: -63.574
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: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -765.251200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.251200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.251200 (E_RNA)
where:
Base-Base interactions energy: -515.444
where: short stacking energy: -228.149
Base-Backbone interact. energy: -1.491
local terms energy: -248.316449
where:
bonds (distance) C4'-P energy: -47.677
bonds (distance) P-C4' energy: -50.069
flat angles C4'-P-C4' energy: -42.303
flat angles P-C4'-P energy: -44.654
tors. eta vs tors. theta energy: -63.613
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: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -655.938071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.938071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.938071 (E_RNA)
where:
Base-Base interactions energy: -437.721
where: short stacking energy: -192.049
Base-Backbone interact. energy: -0.462
local terms energy: -217.754532
where:
bonds (distance) C4'-P energy: -47.949
bonds (distance) P-C4' energy: -40.271
flat angles C4'-P-C4' energy: -45.531
flat angles P-C4'-P energy: -30.311
tors. eta vs tors. theta energy: -53.693
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: 8, replica: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -510.951787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.951787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.951787 (E_RNA)
where:
Base-Base interactions energy: -300.204
where: short stacking energy: -146.349
Base-Backbone interact. energy: 0.017
local terms energy: -210.764783
where:
bonds (distance) C4'-P energy: -53.153
bonds (distance) P-C4' energy: -49.584
flat angles C4'-P-C4' energy: -42.061
flat angles P-C4'-P energy: -35.716
tors. eta vs tors. theta energy: -30.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -251.464189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.464189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.464189 (E_RNA)
where:
Base-Base interactions energy: -87.663
where: short stacking energy: -79.961
Base-Backbone interact. energy: 0.554
local terms energy: -164.355585
where:
bonds (distance) C4'-P energy: -48.463
bonds (distance) P-C4' energy: -45.117
flat angles C4'-P-C4' energy: -43.920
flat angles P-C4'-P energy: -23.217
tors. eta vs tors. theta energy: -3.639
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: 10, replica: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -314.254826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.254826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.254826 (E_RNA)
where:
Base-Base interactions energy: -157.599
where: short stacking energy: -109.102
Base-Backbone interact. energy: -0.767
local terms energy: -155.889468
where:
bonds (distance) C4'-P energy: -32.214
bonds (distance) P-C4' energy: -39.284
flat angles C4'-P-C4' energy: -47.356
flat angles P-C4'-P energy: -25.339
tors. eta vs tors. theta energy: -11.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -929.600009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.600009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.600009 (E_RNA)
where:
Base-Base interactions energy: -646.175
where: short stacking energy: -275.527
Base-Backbone interact. energy: -0.019
local terms energy: -283.405675
where:
bonds (distance) C4'-P energy: -52.437
bonds (distance) P-C4' energy: -52.337
flat angles C4'-P-C4' energy: -58.787
flat angles P-C4'-P energy: -43.293
tors. eta vs tors. theta energy: -76.552
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: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -913.889418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.889418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.889418 (E_RNA)
where:
Base-Base interactions energy: -623.161
where: short stacking energy: -268.178
Base-Backbone interact. energy: -2.288
local terms energy: -288.440635
where:
bonds (distance) C4'-P energy: -57.472
bonds (distance) P-C4' energy: -49.245
flat angles C4'-P-C4' energy: -56.797
flat angles P-C4'-P energy: -42.414
tors. eta vs tors. theta energy: -82.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -863.218426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.218426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.218426 (E_RNA)
where:
Base-Base interactions energy: -596.959
where: short stacking energy: -235.466
Base-Backbone interact. energy: -1.088
local terms energy: -265.171874
where:
bonds (distance) C4'-P energy: -58.354
bonds (distance) P-C4' energy: -50.186
flat angles C4'-P-C4' energy: -50.732
flat angles P-C4'-P energy: -42.178
tors. eta vs tors. theta energy: -63.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -842.391603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.391603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.391603 (E_RNA)
where:
Base-Base interactions energy: -582.226
where: short stacking energy: -233.632
Base-Backbone interact. energy: -1.578
local terms energy: -258.587439
where:
bonds (distance) C4'-P energy: -48.749
bonds (distance) P-C4' energy: -48.861
flat angles C4'-P-C4' energy: -52.491
flat angles P-C4'-P energy: -33.796
tors. eta vs tors. theta energy: -74.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -795.617891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.617891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.617891 (E_RNA)
where:
Base-Base interactions energy: -529.244
where: short stacking energy: -246.432
Base-Backbone interact. energy: -1.677
local terms energy: -264.696936
where:
bonds (distance) C4'-P energy: -57.989
bonds (distance) P-C4' energy: -42.545
flat angles C4'-P-C4' energy: -54.242
flat angles P-C4'-P energy: -36.911
tors. eta vs tors. theta energy: -73.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -752.946904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.946904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.946904 (E_RNA)
where:
Base-Base interactions energy: -513.318
where: short stacking energy: -217.327
Base-Backbone interact. energy: -0.658
local terms energy: -238.970379
where:
bonds (distance) C4'-P energy: -45.764
bonds (distance) P-C4' energy: -52.244
flat angles C4'-P-C4' energy: -51.736
flat angles P-C4'-P energy: -32.370
tors. eta vs tors. theta energy: -56.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -550.408015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.408015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.408015 (E_RNA)
where:
Base-Base interactions energy: -346.042
where: short stacking energy: -152.677
Base-Backbone interact. energy: 0.946
local terms energy: -205.312599
where:
bonds (distance) C4'-P energy: -41.992
bonds (distance) P-C4' energy: -36.987
flat angles C4'-P-C4' energy: -44.214
flat angles P-C4'-P energy: -37.082
tors. eta vs tors. theta energy: -45.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -613.049641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.049641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.049641 (E_RNA)
where:
Base-Base interactions energy: -413.574
where: short stacking energy: -178.006
Base-Backbone interact. energy: -0.975
local terms energy: -198.500746
where:
bonds (distance) C4'-P energy: -38.404
bonds (distance) P-C4' energy: -46.888
flat angles C4'-P-C4' energy: -44.907
flat angles P-C4'-P energy: -27.344
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: 9, replica: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -319.333109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.333109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.333109 (E_RNA)
where:
Base-Base interactions energy: -171.730
where: short stacking energy: -96.953
Base-Backbone interact. energy: 0.035
local terms energy: -147.638641
where:
bonds (distance) C4'-P energy: -34.781
bonds (distance) P-C4' energy: -42.734
flat angles C4'-P-C4' energy: -45.740
flat angles P-C4'-P energy: -21.224
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -246.846822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.846822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.846822 (E_RNA)
where:
Base-Base interactions energy: -90.403
where: short stacking energy: -71.612
Base-Backbone interact. energy: -0.389
local terms energy: -156.054850
where:
bonds (distance) C4'-P energy: -39.715
bonds (distance) P-C4' energy: -48.758
flat angles C4'-P-C4' energy: -36.859
flat angles P-C4'-P energy: -22.912
tors. eta vs tors. theta energy: -7.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -923.492212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.492212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.492212 (E_RNA)
where:
Base-Base interactions energy: -636.880
where: short stacking energy: -263.708
Base-Backbone interact. energy: -2.274
local terms energy: -284.338475
where:
bonds (distance) C4'-P energy: -48.648
bonds (distance) P-C4' energy: -54.746
flat angles C4'-P-C4' energy: -61.497
flat angles P-C4'-P energy: -41.335
tors. eta vs tors. theta energy: -78.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -879.819479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.819479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.819479 (E_RNA)
where:
Base-Base interactions energy: -625.035
where: short stacking energy: -247.644
Base-Backbone interact. energy: -1.965
local terms energy: -252.819116
where:
bonds (distance) C4'-P energy: -44.451
bonds (distance) P-C4' energy: -50.138
flat angles C4'-P-C4' energy: -57.144
flat angles P-C4'-P energy: -28.673
tors. eta vs tors. theta energy: -72.413
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: 3, replica: 3
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -891.163889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.163889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.163889 (E_RNA)
where:
Base-Base interactions energy: -608.367
where: short stacking energy: -239.334
Base-Backbone interact. energy: -1.807
local terms energy: -280.990071
where:
bonds (distance) C4'-P energy: -57.028
bonds (distance) P-C4' energy: -56.020
flat angles C4'-P-C4' energy: -49.544
flat angles P-C4'-P energy: -37.667
tors. eta vs tors. theta energy: -80.731
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: 1
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -865.112100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.112100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.112100 (E_RNA)
where:
Base-Base interactions energy: -599.954
where: short stacking energy: -248.885
Base-Backbone interact. energy: -1.322
local terms energy: -263.836022
where:
bonds (distance) C4'-P energy: -39.250
bonds (distance) P-C4' energy: -48.434
flat angles C4'-P-C4' energy: -59.438
flat angles P-C4'-P energy: -38.112
tors. eta vs tors. theta energy: -78.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -793.268041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.268041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.268041 (E_RNA)
where:
Base-Base interactions energy: -540.063
where: short stacking energy: -240.076
Base-Backbone interact. energy: -1.566
local terms energy: -251.638881
where:
bonds (distance) C4'-P energy: -46.518
bonds (distance) P-C4' energy: -45.994
flat angles C4'-P-C4' energy: -53.468
flat angles P-C4'-P energy: -41.044
tors. eta vs tors. theta energy: -64.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -737.900577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.900577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.900577 (E_RNA)
where:
Base-Base interactions energy: -489.361
where: short stacking energy: -237.719
Base-Backbone interact. energy: -0.427
local terms energy: -248.112338
where:
bonds (distance) C4'-P energy: -42.957
bonds (distance) P-C4' energy: -51.658
flat angles C4'-P-C4' energy: -50.256
flat angles P-C4'-P energy: -31.999
tors. eta vs tors. theta energy: -71.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -514.839459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.839459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.839459 (E_RNA)
where:
Base-Base interactions energy: -313.101
where: short stacking energy: -150.025
Base-Backbone interact. energy: -0.281
local terms energy: -201.457213
where:
bonds (distance) C4'-P energy: -43.338
bonds (distance) P-C4' energy: -54.198
flat angles C4'-P-C4' energy: -41.713
flat angles P-C4'-P energy: -34.719
tors. eta vs tors. theta energy: -27.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -575.762283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.762283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.762283 (E_RNA)
where:
Base-Base interactions energy: -387.401
where: short stacking energy: -168.303
Base-Backbone interact. energy: 4.495
local terms energy: -192.855940
where:
bonds (distance) C4'-P energy: -46.817
bonds (distance) P-C4' energy: -39.932
flat angles C4'-P-C4' energy: -41.055
flat angles P-C4'-P energy: -29.071
tors. eta vs tors. theta energy: -35.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -294.909143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.909143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.909143 (E_RNA)
where:
Base-Base interactions energy: -150.514
where: short stacking energy: -90.474
Base-Backbone interact. energy: 0.083
local terms energy: -144.477541
where:
bonds (distance) C4'-P energy: -42.815
bonds (distance) P-C4' energy: -39.887
flat angles C4'-P-C4' energy: -36.316
flat angles P-C4'-P energy: -22.831
tors. eta vs tors. theta energy: -2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -224.282193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.282193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.282193 (E_RNA)
where:
Base-Base interactions energy: -87.392
where: short stacking energy: -81.978
Base-Backbone interact. energy: -0.703
local terms energy: -136.187214
where:
bonds (distance) C4'-P energy: -39.782
bonds (distance) P-C4' energy: -42.796
flat angles C4'-P-C4' energy: -27.981
flat angles P-C4'-P energy: -22.652
tors. eta vs tors. theta energy: -2.977
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: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -947.111041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.111041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.111041 (E_RNA)
where:
Base-Base interactions energy: -660.408
where: short stacking energy: -270.862
Base-Backbone interact. energy: -1.749
local terms energy: -284.954114
where:
bonds (distance) C4'-P energy: -53.475
bonds (distance) P-C4' energy: -47.761
flat angles C4'-P-C4' energy: -60.788
flat angles P-C4'-P energy: -42.967
tors. eta vs tors. theta energy: -79.963
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: 2
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -884.691339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.691339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.691339 (E_RNA)
where:
Base-Base interactions energy: -607.104
where: short stacking energy: -240.825
Base-Backbone interact. energy: -1.579
local terms energy: -276.008109
where:
bonds (distance) C4'-P energy: -50.019
bonds (distance) P-C4' energy: -48.745
flat angles C4'-P-C4' energy: -65.479
flat angles P-C4'-P energy: -39.550
tors. eta vs tors. theta energy: -72.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -901.998744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.998744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.998744 (E_RNA)
where:
Base-Base interactions energy: -625.544
where: short stacking energy: -267.034
Base-Backbone interact. energy: -1.823
local terms energy: -274.631591
where:
bonds (distance) C4'-P energy: -43.238
bonds (distance) P-C4' energy: -44.882
flat angles C4'-P-C4' energy: -55.874
flat angles P-C4'-P energy: -46.840
tors. eta vs tors. theta energy: -83.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -867.604790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.604790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.604790 (E_RNA)
where:
Base-Base interactions energy: -613.549
where: short stacking energy: -253.242
Base-Backbone interact. energy: -0.632
local terms energy: -253.424302
where:
bonds (distance) C4'-P energy: -44.455
bonds (distance) P-C4' energy: -47.749
flat angles C4'-P-C4' energy: -57.072
flat angles P-C4'-P energy: -33.593
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: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -770.016022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.016022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.016022 (E_RNA)
where:
Base-Base interactions energy: -512.186
where: short stacking energy: -236.912
Base-Backbone interact. energy: -1.719
local terms energy: -256.111283
where:
bonds (distance) C4'-P energy: -49.565
bonds (distance) P-C4' energy: -49.589
flat angles C4'-P-C4' energy: -55.387
flat angles P-C4'-P energy: -35.118
tors. eta vs tors. theta energy: -66.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -769.952995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.952995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.952995 (E_RNA)
where:
Base-Base interactions energy: -525.917
where: short stacking energy: -229.493
Base-Backbone interact. energy: -0.097
local terms energy: -243.939652
where:
bonds (distance) C4'-P energy: -27.217
bonds (distance) P-C4' energy: -50.285
flat angles C4'-P-C4' energy: -61.220
flat angles P-C4'-P energy: -37.673
tors. eta vs tors. theta energy: -67.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -598.428643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.428643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.428643 (E_RNA)
where:
Base-Base interactions energy: -394.938
where: short stacking energy: -179.538
Base-Backbone interact. energy: -2.097
local terms energy: -201.394341
where:
bonds (distance) C4'-P energy: -46.615
bonds (distance) P-C4' energy: -49.696
flat angles C4'-P-C4' energy: -54.773
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -33.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -521.216280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.216280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.216280 (E_RNA)
where:
Base-Base interactions energy: -303.344
where: short stacking energy: -140.341
Base-Backbone interact. energy: -0.864
local terms energy: -217.008113
where:
bonds (distance) C4'-P energy: -47.388
bonds (distance) P-C4' energy: -45.271
flat angles C4'-P-C4' energy: -52.465
flat angles P-C4'-P energy: -33.913
tors. eta vs tors. theta energy: -37.971
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: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -252.443538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.443538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.443538 (E_RNA)
where:
Base-Base interactions energy: -81.490
where: short stacking energy: -70.942
Base-Backbone interact. energy: -0.560
local terms energy: -170.393914
where:
bonds (distance) C4'-P energy: -48.704
bonds (distance) P-C4' energy: -40.203
flat angles C4'-P-C4' energy: -42.799
flat angles P-C4'-P energy: -32.004
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -273.852772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.852772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.852772 (E_RNA)
where:
Base-Base interactions energy: -131.216
where: short stacking energy: -72.533
Base-Backbone interact. energy: -1.370
local terms energy: -141.266802
where:
bonds (distance) C4'-P energy: -47.074
bonds (distance) P-C4' energy: -42.847
flat angles C4'-P-C4' energy: -37.516
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: 1.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -933.603245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.603245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.603245 (E_RNA)
where:
Base-Base interactions energy: -653.195
where: short stacking energy: -268.623
Base-Backbone interact. energy: -0.584
local terms energy: -279.824383
where:
bonds (distance) C4'-P energy: -51.504
bonds (distance) P-C4' energy: -44.863
flat angles C4'-P-C4' energy: -60.999
flat angles P-C4'-P energy: -43.817
tors. eta vs tors. theta energy: -78.642
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: 2, replica: 3
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -931.796999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.796999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.796999 (E_RNA)
where:
Base-Base interactions energy: -639.096
where: short stacking energy: -259.214
Base-Backbone interact. energy: -1.155
local terms energy: -291.546194
where:
bonds (distance) C4'-P energy: -55.922
bonds (distance) P-C4' energy: -59.794
flat angles C4'-P-C4' energy: -56.574
flat angles P-C4'-P energy: -44.633
tors. eta vs tors. theta energy: -74.623
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: 3, replica: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -878.123000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.123000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.123000 (E_RNA)
where:
Base-Base interactions energy: -604.023
where: short stacking energy: -243.652
Base-Backbone interact. energy: -1.626
local terms energy: -272.474708
where:
bonds (distance) C4'-P energy: -48.337
bonds (distance) P-C4' energy: -50.317
flat angles C4'-P-C4' energy: -63.377
flat angles P-C4'-P energy: -41.555
tors. eta vs tors. theta energy: -68.889
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: 1
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -843.424925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.424925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.424925 (E_RNA)
where:
Base-Base interactions energy: -581.705
where: short stacking energy: -247.808
Base-Backbone interact. energy: -0.447
local terms energy: -261.273020
where:
bonds (distance) C4'-P energy: -56.103
bonds (distance) P-C4' energy: -49.497
flat angles C4'-P-C4' energy: -59.363
flat angles P-C4'-P energy: -25.645
tors. eta vs tors. theta energy: -70.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -757.818257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.818257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.818257 (E_RNA)
where:
Base-Base interactions energy: -504.151
where: short stacking energy: -229.020
Base-Backbone interact. energy: 0.813
local terms energy: -254.479980
where:
bonds (distance) C4'-P energy: -48.796
bonds (distance) P-C4' energy: -49.682
flat angles C4'-P-C4' energy: -56.658
flat angles P-C4'-P energy: -38.838
tors. eta vs tors. theta energy: -60.506
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: 255
Temperature: 1.150000
Total energy: -752.279414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.279414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.279414 (E_RNA)
where:
Base-Base interactions energy: -508.252
where: short stacking energy: -213.877
Base-Backbone interact. energy: -0.379
local terms energy: -243.649346
where:
bonds (distance) C4'-P energy: -45.148
bonds (distance) P-C4' energy: -48.892
flat angles C4'-P-C4' energy: -54.120
flat angles P-C4'-P energy: -35.208
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: 7, replica: 7
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -629.814451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.814451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.814451 (E_RNA)
where:
Base-Base interactions energy: -401.752
where: short stacking energy: -172.412
Base-Backbone interact. energy: -1.451
local terms energy: -226.611325
where:
bonds (distance) C4'-P energy: -51.006
bonds (distance) P-C4' energy: -51.595
flat angles C4'-P-C4' energy: -53.092
flat angles P-C4'-P energy: -25.731
tors. eta vs tors. theta energy: -45.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -534.828898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.828898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.828898 (E_RNA)
where:
Base-Base interactions energy: -336.237
where: short stacking energy: -175.435
Base-Backbone interact. energy: -1.534
local terms energy: -197.057864
where:
bonds (distance) C4'-P energy: -46.118
bonds (distance) P-C4' energy: -42.962
flat angles C4'-P-C4' energy: -40.837
flat angles P-C4'-P energy: -30.521
tors. eta vs tors. theta energy: -36.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -267.146599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.146599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.146599 (E_RNA)
where:
Base-Base interactions energy: -109.923
where: short stacking energy: -84.372
Base-Backbone interact. energy: 2.452
local terms energy: -159.676016
where:
bonds (distance) C4'-P energy: -42.541
bonds (distance) P-C4' energy: -45.102
flat angles C4'-P-C4' energy: -46.811
flat angles P-C4'-P energy: -25.234
tors. eta vs tors. theta energy: 0.011
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: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -259.661908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.661908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.661908 (E_RNA)
where:
Base-Base interactions energy: -131.894
where: short stacking energy: -67.951
Base-Backbone interact. energy: -1.761
local terms energy: -126.007133
where:
bonds (distance) C4'-P energy: -35.655
bonds (distance) P-C4' energy: -39.050
flat angles C4'-P-C4' energy: -31.010
flat angles P-C4'-P energy: -24.061
tors. eta vs tors. theta energy: 3.769
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: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -938.226676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.226676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.226676 (E_RNA)
where:
Base-Base interactions energy: -652.301
where: short stacking energy: -256.106
Base-Backbone interact. energy: -1.725
local terms energy: -284.199889
where:
bonds (distance) C4'-P energy: -51.468
bonds (distance) P-C4' energy: -56.897
flat angles C4'-P-C4' energy: -55.538
flat angles P-C4'-P energy: -39.291
tors. eta vs tors. theta energy: -81.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -901.625314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.625314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.625314 (E_RNA)
where:
Base-Base interactions energy: -628.907
where: short stacking energy: -266.567
Base-Backbone interact. energy: -0.653
local terms energy: -272.064893
where:
bonds (distance) C4'-P energy: -52.674
bonds (distance) P-C4' energy: -43.850
flat angles C4'-P-C4' energy: -62.901
flat angles P-C4'-P energy: -35.449
tors. eta vs tors. theta energy: -77.191
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: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -859.428777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.428777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.428777 (E_RNA)
where:
Base-Base interactions energy: -600.877
where: short stacking energy: -255.728
Base-Backbone interact. energy: -1.296
local terms energy: -257.255858
where:
bonds (distance) C4'-P energy: -46.144
bonds (distance) P-C4' energy: -54.835
flat angles C4'-P-C4' energy: -51.796
flat angles P-C4'-P energy: -31.610
tors. eta vs tors. theta energy: -72.871
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: 256
Temperature: 1.050000
Total energy: -860.155873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.155873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.155873 (E_RNA)
where:
Base-Base interactions energy: -595.750
where: short stacking energy: -241.447
Base-Backbone interact. energy: -0.451
local terms energy: -263.954914
where:
bonds (distance) C4'-P energy: -47.452
bonds (distance) P-C4' energy: -52.430
flat angles C4'-P-C4' energy: -55.533
flat angles P-C4'-P energy: -32.731
tors. eta vs tors. theta energy: -75.810
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: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -792.018850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.018850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.018850 (E_RNA)
where:
Base-Base interactions energy: -524.978
where: short stacking energy: -232.279
Base-Backbone interact. energy: -0.223
local terms energy: -266.818449
where:
bonds (distance) C4'-P energy: -47.791
bonds (distance) P-C4' energy: -49.897
flat angles C4'-P-C4' energy: -56.800
flat angles P-C4'-P energy: -39.208
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: 6
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -749.684683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.684683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.684683 (E_RNA)
where:
Base-Base interactions energy: -503.443
where: short stacking energy: -208.274
Base-Backbone interact. energy: 2.551
local terms energy: -248.791864
where:
bonds (distance) C4'-P energy: -50.278
bonds (distance) P-C4' energy: -47.388
flat angles C4'-P-C4' energy: -53.071
flat angles P-C4'-P energy: -38.226
tors. eta vs tors. theta energy: -59.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -599.629576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.629576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.629576 (E_RNA)
where:
Base-Base interactions energy: -374.672
where: short stacking energy: -160.015
Base-Backbone interact. energy: -2.363
local terms energy: -222.595208
where:
bonds (distance) C4'-P energy: -49.309
bonds (distance) P-C4' energy: -45.875
flat angles C4'-P-C4' energy: -43.422
flat angles P-C4'-P energy: -38.126
tors. eta vs tors. theta energy: -45.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -518.114255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.114255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.114255 (E_RNA)
where:
Base-Base interactions energy: -344.546
where: short stacking energy: -161.162
Base-Backbone interact. energy: -1.443
local terms energy: -172.124837
where:
bonds (distance) C4'-P energy: -35.926
bonds (distance) P-C4' energy: -42.650
flat angles C4'-P-C4' energy: -34.332
flat angles P-C4'-P energy: -25.152
tors. eta vs tors. theta energy: -34.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -272.188552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.188552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.188552 (E_RNA)
where:
Base-Base interactions energy: -102.848
where: short stacking energy: -65.368
Base-Backbone interact. energy: 1.132
local terms energy: -170.472711
where:
bonds (distance) C4'-P energy: -50.122
bonds (distance) P-C4' energy: -48.154
flat angles C4'-P-C4' energy: -35.847
flat angles P-C4'-P energy: -24.499
tors. eta vs tors. theta energy: -11.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -222.688956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.688956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.688956 (E_RNA)
where:
Base-Base interactions energy: -77.325
where: short stacking energy: -65.955
Base-Backbone interact. energy: 2.397
local terms energy: -147.760549
where:
bonds (distance) C4'-P energy: -50.229
bonds (distance) P-C4' energy: -33.957
flat angles C4'-P-C4' energy: -34.484
flat angles P-C4'-P energy: -31.302
tors. eta vs tors. theta energy: 2.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -949.641508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.641508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.641508 (E_RNA)
where:
Base-Base interactions energy: -660.828
where: short stacking energy: -288.565
Base-Backbone interact. energy: -1.594
local terms energy: -287.219296
where:
bonds (distance) C4'-P energy: -53.052
bonds (distance) P-C4' energy: -56.419
flat angles C4'-P-C4' energy: -56.466
flat angles P-C4'-P energy: -38.745
tors. eta vs tors. theta energy: -82.537
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: 5
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -908.777888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.777888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.777888 (E_RNA)
where:
Base-Base interactions energy: -622.449
where: short stacking energy: -258.917
Base-Backbone interact. energy: -2.792
local terms energy: -283.536382
where:
bonds (distance) C4'-P energy: -48.980
bonds (distance) P-C4' energy: -51.216
flat angles C4'-P-C4' energy: -60.215
flat angles P-C4'-P energy: -46.181
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: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -878.512121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.512121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.512121 (E_RNA)
where:
Base-Base interactions energy: -608.062
where: short stacking energy: -243.704
Base-Backbone interact. energy: -1.484
local terms energy: -268.966415
where:
bonds (distance) C4'-P energy: -51.784
bonds (distance) P-C4' energy: -55.862
flat angles C4'-P-C4' energy: -56.732
flat angles P-C4'-P energy: -32.098
tors. eta vs tors. theta energy: -72.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -844.868429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.868429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.868429 (E_RNA)
where:
Base-Base interactions energy: -596.421
where: short stacking energy: -241.630
Base-Backbone interact. energy: 1.849
local terms energy: -250.295818
where:
bonds (distance) C4'-P energy: -50.166
bonds (distance) P-C4' energy: -39.216
flat angles C4'-P-C4' energy: -59.657
flat angles P-C4'-P energy: -32.405
tors. eta vs tors. theta energy: -68.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -770.719569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.719569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.719569 (E_RNA)
where:
Base-Base interactions energy: -520.023
where: short stacking energy: -246.617
Base-Backbone interact. energy: -0.703
local terms energy: -249.992940
where:
bonds (distance) C4'-P energy: -40.496
bonds (distance) P-C4' energy: -47.708
flat angles C4'-P-C4' energy: -54.333
flat angles P-C4'-P energy: -38.740
tors. eta vs tors. theta energy: -68.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -747.839298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.839298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.839298 (E_RNA)
where:
Base-Base interactions energy: -515.044
where: short stacking energy: -202.011
Base-Backbone interact. energy: -2.473
local terms energy: -230.322810
where:
bonds (distance) C4'-P energy: -51.874
bonds (distance) P-C4' energy: -45.556
flat angles C4'-P-C4' energy: -52.088
flat angles P-C4'-P energy: -24.354
tors. eta vs tors. theta energy: -56.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -629.435744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.435744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.435744 (E_RNA)
where:
Base-Base interactions energy: -399.073
where: short stacking energy: -192.653
Base-Backbone interact. energy: -1.199
local terms energy: -229.163626
where:
bonds (distance) C4'-P energy: -47.075
bonds (distance) P-C4' energy: -44.743
flat angles C4'-P-C4' energy: -53.859
flat angles P-C4'-P energy: -34.807
tors. eta vs tors. theta energy: -48.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -471.672470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.672470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.672470 (E_RNA)
where:
Base-Base interactions energy: -284.266
where: short stacking energy: -140.447
Base-Backbone interact. energy: 1.891
local terms energy: -189.297683
where:
bonds (distance) C4'-P energy: -36.944
bonds (distance) P-C4' energy: -49.204
flat angles C4'-P-C4' energy: -44.228
flat angles P-C4'-P energy: -26.796
tors. eta vs tors. theta energy: -32.126
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: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -274.391759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.391759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.391759 (E_RNA)
where:
Base-Base interactions energy: -120.242
where: short stacking energy: -82.430
Base-Backbone interact. energy: -0.908
local terms energy: -153.241506
where:
bonds (distance) C4'-P energy: -48.509
bonds (distance) P-C4' energy: -41.400
flat angles C4'-P-C4' energy: -39.004
flat angles P-C4'-P energy: -21.055
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -221.869584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.869584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.869584 (E_RNA)
where:
Base-Base interactions energy: -75.534
where: short stacking energy: -65.819
Base-Backbone interact. energy: 3.006
local terms energy: -149.341763
where:
bonds (distance) C4'-P energy: -36.593
bonds (distance) P-C4' energy: -43.033
flat angles C4'-P-C4' energy: -37.182
flat angles P-C4'-P energy: -32.040
tors. eta vs tors. theta energy: -0.494
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: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -946.469166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.469166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.469166 (E_RNA)
where:
Base-Base interactions energy: -666.676
where: short stacking energy: -277.899
Base-Backbone interact. energy: -2.224
local terms energy: -277.569001
where:
bonds (distance) C4'-P energy: -32.729
bonds (distance) P-C4' energy: -57.171
flat angles C4'-P-C4' energy: -59.034
flat angles P-C4'-P energy: -43.353
tors. eta vs tors. theta energy: -85.282
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: 5
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -902.353293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.353293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.353293 (E_RNA)
where:
Base-Base interactions energy: -618.390
where: short stacking energy: -254.516
Base-Backbone interact. energy: -2.090
local terms energy: -281.873419
where:
bonds (distance) C4'-P energy: -51.738
bonds (distance) P-C4' energy: -54.367
flat angles C4'-P-C4' energy: -60.797
flat angles P-C4'-P energy: -34.808
tors. eta vs tors. theta energy: -80.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -872.849491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.849491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.849491 (E_RNA)
where:
Base-Base interactions energy: -600.641
where: short stacking energy: -235.797
Base-Backbone interact. energy: 1.268
local terms energy: -273.476533
where:
bonds (distance) C4'-P energy: -53.730
bonds (distance) P-C4' energy: -42.653
flat angles C4'-P-C4' energy: -58.743
flat angles P-C4'-P energy: -41.319
tors. eta vs tors. theta energy: -77.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -843.073683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.073683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.073683 (E_RNA)
where:
Base-Base interactions energy: -576.372
where: short stacking energy: -239.506
Base-Backbone interact. energy: -1.166
local terms energy: -265.535706
where:
bonds (distance) C4'-P energy: -47.153
bonds (distance) P-C4' energy: -54.317
flat angles C4'-P-C4' energy: -57.104
flat angles P-C4'-P energy: -37.427
tors. eta vs tors. theta energy: -69.535
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: 258
Temperature: 1.100000
Total energy: -763.055367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.055367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.055367 (E_RNA)
where:
Base-Base interactions energy: -501.469
where: short stacking energy: -239.433
Base-Backbone interact. energy: -0.406
local terms energy: -261.180394
where:
bonds (distance) C4'-P energy: -51.452
bonds (distance) P-C4' energy: -52.846
flat angles C4'-P-C4' energy: -54.542
flat angles P-C4'-P energy: -31.524
tors. eta vs tors. theta energy: -70.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -749.210064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.210064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.210064 (E_RNA)
where:
Base-Base interactions energy: -504.424
where: short stacking energy: -208.528
Base-Backbone interact. energy: -0.566
local terms energy: -244.220004
where:
bonds (distance) C4'-P energy: -47.339
bonds (distance) P-C4' energy: -49.198
flat angles C4'-P-C4' energy: -51.744
flat angles P-C4'-P energy: -32.594
tors. eta vs tors. theta energy: -63.345
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: 7, replica: 7
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -610.905190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.905190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.905190 (E_RNA)
where:
Base-Base interactions energy: -391.063
where: short stacking energy: -159.830
Base-Backbone interact. energy: -0.345
local terms energy: -219.497251
where:
bonds (distance) C4'-P energy: -52.454
bonds (distance) P-C4' energy: -55.975
flat angles C4'-P-C4' energy: -43.994
flat angles P-C4'-P energy: -28.570
tors. eta vs tors. theta energy: -38.504
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: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -426.788515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.788515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.788515 (E_RNA)
where:
Base-Base interactions energy: -252.476
where: short stacking energy: -123.646
Base-Backbone interact. energy: 1.645
local terms energy: -175.956860
where:
bonds (distance) C4'-P energy: -45.148
bonds (distance) P-C4' energy: -46.151
flat angles C4'-P-C4' energy: -54.381
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -14.254
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: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -251.948656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.948656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.948656 (E_RNA)
where:
Base-Base interactions energy: -109.630
where: short stacking energy: -91.558
Base-Backbone interact. energy: -0.837
local terms energy: -141.482250
where:
bonds (distance) C4'-P energy: -36.277
bonds (distance) P-C4' energy: -50.549
flat angles C4'-P-C4' energy: -29.206
flat angles P-C4'-P energy: -22.959
tors. eta vs tors. theta energy: -2.492
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: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -236.016064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.016064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.016064 (E_RNA)
where:
Base-Base interactions energy: -102.918
where: short stacking energy: -74.486
Base-Backbone interact. energy: -1.384
local terms energy: -131.713818
where:
bonds (distance) C4'-P energy: -46.513
bonds (distance) P-C4' energy: -52.228
flat angles C4'-P-C4' energy: -29.782
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: 6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -954.681527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.681527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.681527 (E_RNA)
where:
Base-Base interactions energy: -667.474
where: short stacking energy: -276.424
Base-Backbone interact. energy: -2.693
local terms energy: -284.514065
where:
bonds (distance) C4'-P energy: -50.595
bonds (distance) P-C4' energy: -53.067
flat angles C4'-P-C4' energy: -61.512
flat angles P-C4'-P energy: -35.257
tors. eta vs tors. theta energy: -84.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -871.521756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.521756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.521756 (E_RNA)
where:
Base-Base interactions energy: -603.546
where: short stacking energy: -244.297
Base-Backbone interact. energy: -1.135
local terms energy: -266.840760
where:
bonds (distance) C4'-P energy: -43.561
bonds (distance) P-C4' energy: -59.428
flat angles C4'-P-C4' energy: -59.659
flat angles P-C4'-P energy: -30.821
tors. eta vs tors. theta energy: -73.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -886.597020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.597020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.597020 (E_RNA)
where:
Base-Base interactions energy: -608.087
where: short stacking energy: -251.724
Base-Backbone interact. energy: -0.100
local terms energy: -278.410419
where:
bonds (distance) C4'-P energy: -56.520
bonds (distance) P-C4' energy: -57.944
flat angles C4'-P-C4' energy: -57.525
flat angles P-C4'-P energy: -36.429
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: 4, replica: 1
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -816.886798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.886798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.886798 (E_RNA)
where:
Base-Base interactions energy: -562.759
where: short stacking energy: -229.804
Base-Backbone interact. energy: -0.677
local terms energy: -253.450571
where:
bonds (distance) C4'-P energy: -45.369
bonds (distance) P-C4' energy: -51.512
flat angles C4'-P-C4' energy: -57.718
flat angles P-C4'-P energy: -32.877
tors. eta vs tors. theta energy: -65.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -780.911793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.911793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.911793 (E_RNA)
where:
Base-Base interactions energy: -540.859
where: short stacking energy: -237.829
Base-Backbone interact. energy: -0.298
local terms energy: -239.755300
where:
bonds (distance) C4'-P energy: -40.296
bonds (distance) P-C4' energy: -45.201
flat angles C4'-P-C4' energy: -52.252
flat angles P-C4'-P energy: -33.093
tors. eta vs tors. theta energy: -68.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -731.322894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.322894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.322894 (E_RNA)
where:
Base-Base interactions energy: -501.671
where: short stacking energy: -208.994
Base-Backbone interact. energy: -1.846
local terms energy: -227.806143
where:
bonds (distance) C4'-P energy: -41.502
bonds (distance) P-C4' energy: -40.208
flat angles C4'-P-C4' energy: -57.914
flat angles P-C4'-P energy: -30.824
tors. eta vs tors. theta energy: -57.358
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: 259
Temperature: 1.200000
Total energy: -602.764546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.764546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.764546 (E_RNA)
where:
Base-Base interactions energy: -396.003
where: short stacking energy: -159.887
Base-Backbone interact. energy: -0.456
local terms energy: -206.305378
where:
bonds (distance) C4'-P energy: -47.060
bonds (distance) P-C4' energy: -37.694
flat angles C4'-P-C4' energy: -54.791
flat angles P-C4'-P energy: -30.956
tors. eta vs tors. theta energy: -35.805
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: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -441.135330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.135330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.135330 (E_RNA)
where:
Base-Base interactions energy: -262.974
where: short stacking energy: -122.928
Base-Backbone interact. energy: -1.134
local terms energy: -177.026821
where:
bonds (distance) C4'-P energy: -43.063
bonds (distance) P-C4' energy: -52.331
flat angles C4'-P-C4' energy: -40.362
flat angles P-C4'-P energy: -29.232
tors. eta vs tors. theta energy: -12.038
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: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -241.193691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.193691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.193691 (E_RNA)
where:
Base-Base interactions energy: -90.434
where: short stacking energy: -62.669
Base-Backbone interact. energy: -1.300
local terms energy: -149.459653
where:
bonds (distance) C4'-P energy: -40.820
bonds (distance) P-C4' energy: -47.825
flat angles C4'-P-C4' energy: -37.053
flat angles P-C4'-P energy: -35.239
tors. eta vs tors. theta energy: 11.477
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: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -220.870263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.870263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.870263 (E_RNA)
where:
Base-Base interactions energy: -65.366
where: short stacking energy: -58.522
Base-Backbone interact. energy: 1.518
local terms energy: -157.022491
where:
bonds (distance) C4'-P energy: -55.977
bonds (distance) P-C4' energy: -38.711
flat angles C4'-P-C4' energy: -32.817
flat angles P-C4'-P energy: -32.395
tors. eta vs tors. theta energy: 2.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -945.180681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.180681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.180681 (E_RNA)
where:
Base-Base interactions energy: -656.188
where: short stacking energy: -274.821
Base-Backbone interact. energy: -2.355
local terms energy: -286.637516
where:
bonds (distance) C4'-P energy: -52.552
bonds (distance) P-C4' energy: -46.614
flat angles C4'-P-C4' energy: -65.859
flat angles P-C4'-P energy: -44.177
tors. eta vs tors. theta energy: -77.435
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: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -886.557911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.557911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.557911 (E_RNA)
where:
Base-Base interactions energy: -609.999
where: short stacking energy: -245.882
Base-Backbone interact. energy: -0.519
local terms energy: -276.039726
where:
bonds (distance) C4'-P energy: -53.948
bonds (distance) P-C4' energy: -56.350
flat angles C4'-P-C4' energy: -57.192
flat angles P-C4'-P energy: -44.199
tors. eta vs tors. theta energy: -64.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -876.989113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.989113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.989113 (E_RNA)
where:
Base-Base interactions energy: -619.191
where: short stacking energy: -254.097
Base-Backbone interact. energy: -2.089
local terms energy: -255.709831
where:
bonds (distance) C4'-P energy: -42.111
bonds (distance) P-C4' energy: -46.283
flat angles C4'-P-C4' energy: -55.849
flat angles P-C4'-P energy: -38.363
tors. eta vs tors. theta energy: -73.104
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: 4, replica: 1
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -836.130067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.130067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.130067 (E_RNA)
where:
Base-Base interactions energy: -586.644
where: short stacking energy: -234.715
Base-Backbone interact. energy: -0.505
local terms energy: -248.981255
where:
bonds (distance) C4'-P energy: -45.831
bonds (distance) P-C4' energy: -55.502
flat angles C4'-P-C4' energy: -48.597
flat angles P-C4'-P energy: -36.368
tors. eta vs tors. theta energy: -62.684
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: 6
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -768.207309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.207309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.207309 (E_RNA)
where:
Base-Base interactions energy: -519.442
where: short stacking energy: -209.528
Base-Backbone interact. energy: 0.814
local terms energy: -249.579341
where:
bonds (distance) C4'-P energy: -55.331
bonds (distance) P-C4' energy: -53.561
flat angles C4'-P-C4' energy: -46.819
flat angles P-C4'-P energy: -35.428
tors. eta vs tors. theta energy: -58.441
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: 10
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -762.943700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.943700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.943700 (E_RNA)
where:
Base-Base interactions energy: -509.258
where: short stacking energy: -226.535
Base-Backbone interact. energy: -0.926
local terms energy: -252.760322
where:
bonds (distance) C4'-P energy: -47.915
bonds (distance) P-C4' energy: -54.531
flat angles C4'-P-C4' energy: -48.802
flat angles P-C4'-P energy: -34.304
tors. eta vs tors. theta energy: -67.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -544.023531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.023531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.023531 (E_RNA)
where:
Base-Base interactions energy: -350.132
where: short stacking energy: -170.844
Base-Backbone interact. energy: -0.749
local terms energy: -193.142602
where:
bonds (distance) C4'-P energy: -33.460
bonds (distance) P-C4' energy: -42.017
flat angles C4'-P-C4' energy: -49.472
flat angles P-C4'-P energy: -27.159
tors. eta vs tors. theta energy: -41.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -433.911703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.911703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.911703 (E_RNA)
where:
Base-Base interactions energy: -248.470
where: short stacking energy: -129.153
Base-Backbone interact. energy: 1.316
local terms energy: -186.757138
where:
bonds (distance) C4'-P energy: -39.959
bonds (distance) P-C4' energy: -53.847
flat angles C4'-P-C4' energy: -38.649
flat angles P-C4'-P energy: -29.304
tors. eta vs tors. theta energy: -24.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -244.537885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.537885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.537885 (E_RNA)
where:
Base-Base interactions energy: -98.024
where: short stacking energy: -74.607
Base-Backbone interact. energy: -1.298
local terms energy: -145.215840
where:
bonds (distance) C4'-P energy: -33.575
bonds (distance) P-C4' energy: -50.033
flat angles C4'-P-C4' energy: -43.602
flat angles P-C4'-P energy: -18.374
tors. eta vs tors. theta energy: 0.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -244.942836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.942836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.942836 (E_RNA)
where:
Base-Base interactions energy: -106.082
where: short stacking energy: -94.111
Base-Backbone interact. energy: -1.516
local terms energy: -137.344345
where:
bonds (distance) C4'-P energy: -35.692
bonds (distance) P-C4' energy: -46.438
flat angles C4'-P-C4' energy: -23.306
flat angles P-C4'-P energy: -28.709
tors. eta vs tors. theta energy: -3.199
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: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -952.220041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.220041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.220041 (E_RNA)
where:
Base-Base interactions energy: -660.786
where: short stacking energy: -278.222
Base-Backbone interact. energy: -1.565
local terms energy: -289.869381
where:
bonds (distance) C4'-P energy: -52.247
bonds (distance) P-C4' energy: -47.296
flat angles C4'-P-C4' energy: -67.143
flat angles P-C4'-P energy: -43.453
tors. eta vs tors. theta energy: -79.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -910.694881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.694881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.694881 (E_RNA)
where:
Base-Base interactions energy: -631.854
where: short stacking energy: -244.596
Base-Backbone interact. energy: -0.571
local terms energy: -278.269176
where:
bonds (distance) C4'-P energy: -52.999
bonds (distance) P-C4' energy: -53.708
flat angles C4'-P-C4' energy: -50.192
flat angles P-C4'-P energy: -45.036
tors. eta vs tors. theta energy: -76.334
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: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -875.481298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.481298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.481298 (E_RNA)
where:
Base-Base interactions energy: -612.345
where: short stacking energy: -248.810
Base-Backbone interact. energy: -1.350
local terms energy: -261.787151
where:
bonds (distance) C4'-P energy: -49.402
bonds (distance) P-C4' energy: -55.834
flat angles C4'-P-C4' energy: -55.495
flat angles P-C4'-P energy: -35.808
tors. eta vs tors. theta energy: -65.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -855.496259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.496259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.496259 (E_RNA)
where:
Base-Base interactions energy: -585.425
where: short stacking energy: -246.941
Base-Backbone interact. energy: -1.681
local terms energy: -268.391055
where:
bonds (distance) C4'-P energy: -56.026
bonds (distance) P-C4' energy: -47.686
flat angles C4'-P-C4' energy: -58.304
flat angles P-C4'-P energy: -32.483
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: 5, replica: 6
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -740.160496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.160496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.160496 (E_RNA)
where:
Base-Base interactions energy: -500.423
where: short stacking energy: -228.784
Base-Backbone interact. energy: 1.636
local terms energy: -241.373224
where:
bonds (distance) C4'-P energy: -54.064
bonds (distance) P-C4' energy: -49.812
flat angles C4'-P-C4' energy: -52.273
flat angles P-C4'-P energy: -20.526
tors. eta vs tors. theta energy: -64.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -720.721481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.721481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.721481 (E_RNA)
where:
Base-Base interactions energy: -495.258
where: short stacking energy: -201.937
Base-Backbone interact. energy: -0.548
local terms energy: -224.915350
where:
bonds (distance) C4'-P energy: -35.942
bonds (distance) P-C4' energy: -47.971
flat angles C4'-P-C4' energy: -52.214
flat angles P-C4'-P energy: -32.097
tors. eta vs tors. theta energy: -56.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -542.647095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.647095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.647095 (E_RNA)
where:
Base-Base interactions energy: -341.170
where: short stacking energy: -144.907
Base-Backbone interact. energy: -0.757
local terms energy: -200.720169
where:
bonds (distance) C4'-P energy: -42.369
bonds (distance) P-C4' energy: -53.935
flat angles C4'-P-C4' energy: -48.056
flat angles P-C4'-P energy: -28.498
tors. eta vs tors. theta energy: -27.862
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: 4
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -464.472425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.472425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.472425 (E_RNA)
where:
Base-Base interactions energy: -279.848
where: short stacking energy: -144.633
Base-Backbone interact. energy: 3.560
local terms energy: -188.184179
where:
bonds (distance) C4'-P energy: -48.566
bonds (distance) P-C4' energy: -50.620
flat angles C4'-P-C4' energy: -50.282
flat angles P-C4'-P energy: -28.249
tors. eta vs tors. theta energy: -10.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -282.496942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.496942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.496942 (E_RNA)
where:
Base-Base interactions energy: -135.247
where: short stacking energy: -72.818
Base-Backbone interact. energy: 1.587
local terms energy: -148.836061
where:
bonds (distance) C4'-P energy: -38.395
bonds (distance) P-C4' energy: -36.459
flat angles C4'-P-C4' energy: -45.245
flat angles P-C4'-P energy: -33.058
tors. eta vs tors. theta energy: 4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -247.966676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.966676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.966676 (E_RNA)
where:
Base-Base interactions energy: -100.399
where: short stacking energy: -85.104
Base-Backbone interact. energy: 1.787
local terms energy: -149.354740
where:
bonds (distance) C4'-P energy: -45.548
bonds (distance) P-C4' energy: -42.497
flat angles C4'-P-C4' energy: -38.921
flat angles P-C4'-P energy: -20.419
tors. eta vs tors. theta energy: -1.969
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: 1, replica: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -949.692980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.692980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.692980 (E_RNA)
where:
Base-Base interactions energy: -654.866
where: short stacking energy: -251.307
Base-Backbone interact. energy: -1.090
local terms energy: -293.736775
where:
bonds (distance) C4'-P energy: -56.294
bonds (distance) P-C4' energy: -58.206
flat angles C4'-P-C4' energy: -58.097
flat angles P-C4'-P energy: -41.983
tors. eta vs tors. theta energy: -79.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -900.405568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.405568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.405568 (E_RNA)
where:
Base-Base interactions energy: -637.263
where: short stacking energy: -270.110
Base-Backbone interact. energy: -1.658
local terms energy: -261.484277
where:
bonds (distance) C4'-P energy: -41.638
bonds (distance) P-C4' energy: -48.016
flat angles C4'-P-C4' energy: -58.887
flat angles P-C4'-P energy: -39.454
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: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -848.227855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.227855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.227855 (E_RNA)
where:
Base-Base interactions energy: -581.737
where: short stacking energy: -225.142
Base-Backbone interact. energy: -1.915
local terms energy: -264.575967
where:
bonds (distance) C4'-P energy: -42.331
bonds (distance) P-C4' energy: -56.373
flat angles C4'-P-C4' energy: -56.339
flat angles P-C4'-P energy: -43.663
tors. eta vs tors. theta energy: -65.869
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: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -846.798017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.798017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.798017 (E_RNA)
where:
Base-Base interactions energy: -578.348
where: short stacking energy: -229.153
Base-Backbone interact. energy: 0.943
local terms energy: -269.392949
where:
bonds (distance) C4'-P energy: -46.614
bonds (distance) P-C4' energy: -54.285
flat angles C4'-P-C4' energy: -55.399
flat angles P-C4'-P energy: -40.024
tors. eta vs tors. theta energy: -73.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -741.874127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.874127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.874127 (E_RNA)
where:
Base-Base interactions energy: -508.275
where: short stacking energy: -234.766
Base-Backbone interact. energy: 0.404
local terms energy: -234.003170
where:
bonds (distance) C4'-P energy: -31.848
bonds (distance) P-C4' energy: -51.608
flat angles C4'-P-C4' energy: -53.089
flat angles P-C4'-P energy: -36.614
tors. eta vs tors. theta energy: -60.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -724.525672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.525672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.525672 (E_RNA)
where:
Base-Base interactions energy: -488.528
where: short stacking energy: -207.832
Base-Backbone interact. energy: 0.713
local terms energy: -236.710209
where:
bonds (distance) C4'-P energy: -48.895
bonds (distance) P-C4' energy: -49.829
flat angles C4'-P-C4' energy: -54.348
flat angles P-C4'-P energy: -35.616
tors. eta vs tors. theta energy: -48.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -555.672112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.672112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.672112 (E_RNA)
where:
Base-Base interactions energy: -336.738
where: short stacking energy: -165.722
Base-Backbone interact. energy: 0.590
local terms energy: -219.524347
where:
bonds (distance) C4'-P energy: -45.657
bonds (distance) P-C4' energy: -44.127
flat angles C4'-P-C4' energy: -52.397
flat angles P-C4'-P energy: -38.388
tors. eta vs tors. theta energy: -38.955
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: 4
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -474.864342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.864342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.864342 (E_RNA)
where:
Base-Base interactions energy: -282.459
where: short stacking energy: -134.117
Base-Backbone interact. energy: 0.038
local terms energy: -192.443657
where:
bonds (distance) C4'-P energy: -51.368
bonds (distance) P-C4' energy: -52.842
flat angles C4'-P-C4' energy: -34.929
flat angles P-C4'-P energy: -25.303
tors. eta vs tors. theta energy: -28.002
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: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -302.799390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.799390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.799390 (E_RNA)
where:
Base-Base interactions energy: -154.399
where: short stacking energy: -93.874
Base-Backbone interact. energy: 2.095
local terms energy: -150.495722
where:
bonds (distance) C4'-P energy: -42.807
bonds (distance) P-C4' energy: -44.522
flat angles C4'-P-C4' energy: -40.609
flat angles P-C4'-P energy: -20.877
tors. eta vs tors. theta energy: -1.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -224.787646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.787646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.787646 (E_RNA)
where:
Base-Base interactions energy: -87.967
where: short stacking energy: -60.719
Base-Backbone interact. energy: 5.980
local terms energy: -142.801091
where:
bonds (distance) C4'-P energy: -37.882
bonds (distance) P-C4' energy: -55.606
flat angles C4'-P-C4' energy: -41.042
flat angles P-C4'-P energy: -17.054
tors. eta vs tors. theta energy: 8.783
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: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -939.207081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.207081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.207081 (E_RNA)
where:
Base-Base interactions energy: -649.143
where: short stacking energy: -262.615
Base-Backbone interact. energy: -0.711
local terms energy: -289.352678
where:
bonds (distance) C4'-P energy: -52.877
bonds (distance) P-C4' energy: -50.183
flat angles C4'-P-C4' energy: -64.238
flat angles P-C4'-P energy: -43.456
tors. eta vs tors. theta energy: -78.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -892.961649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.961649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.961649 (E_RNA)
where:
Base-Base interactions energy: -608.386
where: short stacking energy: -247.985
Base-Backbone interact. energy: 0.268
local terms energy: -284.843378
where:
bonds (distance) C4'-P energy: -48.140
bonds (distance) P-C4' energy: -54.563
flat angles C4'-P-C4' energy: -56.748
flat angles P-C4'-P energy: -48.543
tors. eta vs tors. theta energy: -76.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -855.676408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.676408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.676408 (E_RNA)
where:
Base-Base interactions energy: -593.237
where: short stacking energy: -250.218
Base-Backbone interact. energy: -1.176
local terms energy: -261.263639
where:
bonds (distance) C4'-P energy: -40.747
bonds (distance) P-C4' energy: -56.652
flat angles C4'-P-C4' energy: -55.190
flat angles P-C4'-P energy: -40.104
tors. eta vs tors. theta energy: -68.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -860.771385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.771385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.771385 (E_RNA)
where:
Base-Base interactions energy: -613.069
where: short stacking energy: -252.174
Base-Backbone interact. energy: -3.315
local terms energy: -244.387194
where:
bonds (distance) C4'-P energy: -42.611
bonds (distance) P-C4' energy: -49.288
flat angles C4'-P-C4' energy: -39.614
flat angles P-C4'-P energy: -40.383
tors. eta vs tors. theta energy: -72.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -703.987139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.987139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.987139 (E_RNA)
where:
Base-Base interactions energy: -472.131
where: short stacking energy: -212.302
Base-Backbone interact. energy: 1.465
local terms energy: -233.321005
where:
bonds (distance) C4'-P energy: -47.652
bonds (distance) P-C4' energy: -52.165
flat angles C4'-P-C4' energy: -51.234
flat angles P-C4'-P energy: -31.045
tors. eta vs tors. theta energy: -51.226
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: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -772.001020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.001020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.001020 (E_RNA)
where:
Base-Base interactions energy: -520.233
where: short stacking energy: -227.508
Base-Backbone interact. energy: 0.371
local terms energy: -252.139355
where:
bonds (distance) C4'-P energy: -58.892
bonds (distance) P-C4' energy: -49.242
flat angles C4'-P-C4' energy: -54.146
flat angles P-C4'-P energy: -28.741
tors. eta vs tors. theta energy: -61.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -539.043128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.043128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.043128 (E_RNA)
where:
Base-Base interactions energy: -341.592
where: short stacking energy: -154.207
Base-Backbone interact. energy: -2.127
local terms energy: -195.323499
where:
bonds (distance) C4'-P energy: -35.177
bonds (distance) P-C4' energy: -49.871
flat angles C4'-P-C4' energy: -41.591
flat angles P-C4'-P energy: -33.883
tors. eta vs tors. theta energy: -34.802
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: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -456.443185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.443185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.443185 (E_RNA)
where:
Base-Base interactions energy: -264.860
where: short stacking energy: -130.954
Base-Backbone interact. energy: -1.471
local terms energy: -190.112960
where:
bonds (distance) C4'-P energy: -44.137
bonds (distance) P-C4' energy: -46.802
flat angles C4'-P-C4' energy: -45.598
flat angles P-C4'-P energy: -25.147
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: 9, replica: 8
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -240.001616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.001616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.001616 (E_RNA)
where:
Base-Base interactions energy: -77.114
where: short stacking energy: -62.788
Base-Backbone interact. energy: -0.590
local terms energy: -162.297576
where:
bonds (distance) C4'-P energy: -47.895
bonds (distance) P-C4' energy: -50.626
flat angles C4'-P-C4' energy: -40.077
flat angles P-C4'-P energy: -28.725
tors. eta vs tors. theta energy: 5.027
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: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -228.161038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.161038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.161038 (E_RNA)
where:
Base-Base interactions energy: -70.605
where: short stacking energy: -67.226
Base-Backbone interact. energy: -0.921
local terms energy: -156.635050
where:
bonds (distance) C4'-P energy: -40.588
bonds (distance) P-C4' energy: -52.606
flat angles C4'-P-C4' energy: -39.940
flat angles P-C4'-P energy: -26.819
tors. eta vs tors. theta energy: 3.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -935.180668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.180668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.180668 (E_RNA)
where:
Base-Base interactions energy: -641.331
where: short stacking energy: -265.891
Base-Backbone interact. energy: -2.234
local terms energy: -291.616382
where:
bonds (distance) C4'-P energy: -52.714
bonds (distance) P-C4' energy: -52.572
flat angles C4'-P-C4' energy: -61.309
flat angles P-C4'-P energy: -44.405
tors. eta vs tors. theta energy: -80.616
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: 5
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -908.154334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.154334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.154334 (E_RNA)
where:
Base-Base interactions energy: -631.399
where: short stacking energy: -251.869
Base-Backbone interact. energy: -2.221
local terms energy: -274.533469
where:
bonds (distance) C4'-P energy: -56.996
bonds (distance) P-C4' energy: -47.068
flat angles C4'-P-C4' energy: -50.875
flat angles P-C4'-P energy: -47.689
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: 3, replica: 2
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -875.906867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.906867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.906867 (E_RNA)
where:
Base-Base interactions energy: -597.156
where: short stacking energy: -237.342
Base-Backbone interact. energy: -2.042
local terms energy: -276.709169
where:
bonds (distance) C4'-P energy: -51.530
bonds (distance) P-C4' energy: -59.089
flat angles C4'-P-C4' energy: -56.473
flat angles P-C4'-P energy: -44.390
tors. eta vs tors. theta energy: -65.227
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: 1
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -840.242549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.242549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.242549 (E_RNA)
where:
Base-Base interactions energy: -577.453
where: short stacking energy: -234.454
Base-Backbone interact. energy: -1.497
local terms energy: -261.291915
where:
bonds (distance) C4'-P energy: -48.151
bonds (distance) P-C4' energy: -49.360
flat angles C4'-P-C4' energy: -58.187
flat angles P-C4'-P energy: -34.191
tors. eta vs tors. theta energy: -71.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -792.532959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.532959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.532959 (E_RNA)
where:
Base-Base interactions energy: -528.537
where: short stacking energy: -239.750
Base-Backbone interact. energy: -0.402
local terms energy: -263.594511
where:
bonds (distance) C4'-P energy: -52.049
bonds (distance) P-C4' energy: -47.270
flat angles C4'-P-C4' energy: -50.671
flat angles P-C4'-P energy: -39.767
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: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -713.490298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.490298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.490298 (E_RNA)
where:
Base-Base interactions energy: -471.206
where: short stacking energy: -196.522
Base-Backbone interact. energy: -0.604
local terms energy: -241.680446
where:
bonds (distance) C4'-P energy: -45.436
bonds (distance) P-C4' energy: -42.828
flat angles C4'-P-C4' energy: -55.390
flat angles P-C4'-P energy: -37.219
tors. eta vs tors. theta energy: -60.807
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: 264
Temperature: 1.200000
Total energy: -542.915520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.915520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.915520 (E_RNA)
where:
Base-Base interactions energy: -326.110
where: short stacking energy: -159.320
Base-Backbone interact. energy: -0.899
local terms energy: -215.906921
where:
bonds (distance) C4'-P energy: -42.834
bonds (distance) P-C4' energy: -53.837
flat angles C4'-P-C4' energy: -59.120
flat angles P-C4'-P energy: -29.168
tors. eta vs tors. theta energy: -30.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -419.971693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.971693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.971693 (E_RNA)
where:
Base-Base interactions energy: -223.596
where: short stacking energy: -103.737
Base-Backbone interact. energy: -0.655
local terms energy: -195.720582
where:
bonds (distance) C4'-P energy: -61.724
bonds (distance) P-C4' energy: -50.540
flat angles C4'-P-C4' energy: -35.366
flat angles P-C4'-P energy: -31.503
tors. eta vs tors. theta energy: -16.589
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: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -235.716442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.716442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.716442 (E_RNA)
where:
Base-Base interactions energy: -76.894
where: short stacking energy: -72.949
Base-Backbone interact. energy: 3.435
local terms energy: -162.258080
where:
bonds (distance) C4'-P energy: -51.713
bonds (distance) P-C4' energy: -48.131
flat angles C4'-P-C4' energy: -40.022
flat angles P-C4'-P energy: -22.472
tors. eta vs tors. theta energy: 0.080
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: 10, replica: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -232.159877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.159877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.159877 (E_RNA)
where:
Base-Base interactions energy: -75.895
where: short stacking energy: -56.688
Base-Backbone interact. energy: 0.489
local terms energy: -156.754230
where:
bonds (distance) C4'-P energy: -47.059
bonds (distance) P-C4' energy: -45.266
flat angles C4'-P-C4' energy: -44.006
flat angles P-C4'-P energy: -21.613
tors. eta vs tors. theta energy: 1.190
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: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -947.385965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.385965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.385965 (E_RNA)
where:
Base-Base interactions energy: -654.541
where: short stacking energy: -282.189
Base-Backbone interact. energy: -0.911
local terms energy: -291.934070
where:
bonds (distance) C4'-P energy: -53.484
bonds (distance) P-C4' energy: -54.042
flat angles C4'-P-C4' energy: -61.484
flat angles P-C4'-P energy: -44.797
tors. eta vs tors. theta energy: -78.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -910.891167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.891167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.891167 (E_RNA)
where:
Base-Base interactions energy: -619.351
where: short stacking energy: -253.753
Base-Backbone interact. energy: -1.684
local terms energy: -289.856195
where:
bonds (distance) C4'-P energy: -52.105
bonds (distance) P-C4' energy: -52.080
flat angles C4'-P-C4' energy: -62.674
flat angles P-C4'-P energy: -43.218
tors. eta vs tors. theta energy: -79.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -871.513981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.513981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.513981 (E_RNA)
where:
Base-Base interactions energy: -607.782
where: short stacking energy: -254.036
Base-Backbone interact. energy: -0.319
local terms energy: -263.413417
where:
bonds (distance) C4'-P energy: -44.984
bonds (distance) P-C4' energy: -45.260
flat angles C4'-P-C4' energy: -66.114
flat angles P-C4'-P energy: -31.628
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: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -827.109398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.109398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.109398 (E_RNA)
where:
Base-Base interactions energy: -562.525
where: short stacking energy: -237.090
Base-Backbone interact. energy: -1.527
local terms energy: -263.057488
where:
bonds (distance) C4'-P energy: -48.600
bonds (distance) P-C4' energy: -55.786
flat angles C4'-P-C4' energy: -53.889
flat angles P-C4'-P energy: -39.839
tors. eta vs tors. theta energy: -64.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -784.171446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.171446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.171446 (E_RNA)
where:
Base-Base interactions energy: -534.842
where: short stacking energy: -246.372
Base-Backbone interact. energy: 1.185
local terms energy: -250.514259
where:
bonds (distance) C4'-P energy: -49.837
bonds (distance) P-C4' energy: -47.775
flat angles C4'-P-C4' energy: -51.433
flat angles P-C4'-P energy: -29.958
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: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -710.043822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.043822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.043822 (E_RNA)
where:
Base-Base interactions energy: -468.152
where: short stacking energy: -208.892
Base-Backbone interact. energy: 0.881
local terms energy: -242.773552
where:
bonds (distance) C4'-P energy: -44.441
bonds (distance) P-C4' energy: -52.579
flat angles C4'-P-C4' energy: -53.664
flat angles P-C4'-P energy: -35.668
tors. eta vs tors. theta energy: -56.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -546.477135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.477135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.477135 (E_RNA)
where:
Base-Base interactions energy: -360.594
where: short stacking energy: -171.739
Base-Backbone interact. energy: -1.255
local terms energy: -184.628620
where:
bonds (distance) C4'-P energy: -40.127
bonds (distance) P-C4' energy: -37.864
flat angles C4'-P-C4' energy: -52.204
flat angles P-C4'-P energy: -23.218
tors. eta vs tors. theta energy: -31.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -444.657029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.657029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.657029 (E_RNA)
where:
Base-Base interactions energy: -255.748
where: short stacking energy: -136.325
Base-Backbone interact. energy: 2.156
local terms energy: -191.064605
where:
bonds (distance) C4'-P energy: -33.976
bonds (distance) P-C4' energy: -47.902
flat angles C4'-P-C4' energy: -47.473
flat angles P-C4'-P energy: -25.365
tors. eta vs tors. theta energy: -36.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -237.574685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.574685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.574685 (E_RNA)
where:
Base-Base interactions energy: -95.733
where: short stacking energy: -66.100
Base-Backbone interact. energy: 0.713
local terms energy: -142.554807
where:
bonds (distance) C4'-P energy: -46.314
bonds (distance) P-C4' energy: -57.719
flat angles C4'-P-C4' energy: -32.408
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: 13.324
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: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -221.617784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.617784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.617784 (E_RNA)
where:
Base-Base interactions energy: -78.086
where: short stacking energy: -68.999
Base-Backbone interact. energy: -0.542
local terms energy: -142.989730
where:
bonds (distance) C4'-P energy: -33.843
bonds (distance) P-C4' energy: -51.103
flat angles C4'-P-C4' energy: -46.565
flat angles P-C4'-P energy: -24.570
tors. eta vs tors. theta energy: 13.092
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: 1, replica: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -949.655033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.655033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.655033 (E_RNA)
where:
Base-Base interactions energy: -653.627
where: short stacking energy: -269.590
Base-Backbone interact. energy: -1.016
local terms energy: -295.012700
where:
bonds (distance) C4'-P energy: -58.075
bonds (distance) P-C4' energy: -48.244
flat angles C4'-P-C4' energy: -61.510
flat angles P-C4'-P energy: -43.810
tors. eta vs tors. theta energy: -83.374
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: 5
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -902.106617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.106617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.106617 (E_RNA)
where:
Base-Base interactions energy: -629.780
where: short stacking energy: -256.906
Base-Backbone interact. energy: -0.036
local terms energy: -272.289775
where:
bonds (distance) C4'-P energy: -51.967
bonds (distance) P-C4' energy: -47.288
flat angles C4'-P-C4' energy: -58.673
flat angles P-C4'-P energy: -36.191
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: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -846.109925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.109925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.109925 (E_RNA)
where:
Base-Base interactions energy: -574.510
where: short stacking energy: -229.279
Base-Backbone interact. energy: -1.432
local terms energy: -270.167896
where:
bonds (distance) C4'-P energy: -49.510
bonds (distance) P-C4' energy: -48.902
flat angles C4'-P-C4' energy: -58.479
flat angles P-C4'-P energy: -41.511
tors. eta vs tors. theta energy: -71.767
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: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -829.695707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.695707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.695707 (E_RNA)
where:
Base-Base interactions energy: -581.942
where: short stacking energy: -234.925
Base-Backbone interact. energy: -0.893
local terms energy: -246.860847
where:
bonds (distance) C4'-P energy: -49.062
bonds (distance) P-C4' energy: -44.955
flat angles C4'-P-C4' energy: -54.920
flat angles P-C4'-P energy: -30.552
tors. eta vs tors. theta energy: -67.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -785.280373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.280373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.280373 (E_RNA)
where:
Base-Base interactions energy: -538.052
where: short stacking energy: -228.403
Base-Backbone interact. energy: -1.604
local terms energy: -245.624406
where:
bonds (distance) C4'-P energy: -39.769
bonds (distance) P-C4' energy: -54.647
flat angles C4'-P-C4' energy: -57.736
flat angles P-C4'-P energy: -33.630
tors. eta vs tors. theta energy: -59.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -747.820446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.820446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.820446 (E_RNA)
where:
Base-Base interactions energy: -505.272
where: short stacking energy: -243.941
Base-Backbone interact. energy: -1.120
local terms energy: -241.428754
where:
bonds (distance) C4'-P energy: -45.460
bonds (distance) P-C4' energy: -50.203
flat angles C4'-P-C4' energy: -50.835
flat angles P-C4'-P energy: -29.135
tors. eta vs tors. theta energy: -65.796
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: 7, replica: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -570.211208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.211208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.211208 (E_RNA)
where:
Base-Base interactions energy: -347.486
where: short stacking energy: -171.841
Base-Backbone interact. energy: -1.338
local terms energy: -221.387938
where:
bonds (distance) C4'-P energy: -43.610
bonds (distance) P-C4' energy: -45.933
flat angles C4'-P-C4' energy: -51.791
flat angles P-C4'-P energy: -35.054
tors. eta vs tors. theta energy: -45.000
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: 8, replica: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -454.454599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.454599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.454599 (E_RNA)
where:
Base-Base interactions energy: -258.126
where: short stacking energy: -141.654
Base-Backbone interact. energy: -0.258
local terms energy: -196.070501
where:
bonds (distance) C4'-P energy: -32.200
bonds (distance) P-C4' energy: -50.540
flat angles C4'-P-C4' energy: -49.843
flat angles P-C4'-P energy: -37.612
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: 9, replica: 8
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -232.528040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.528040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.528040 (E_RNA)
where:
Base-Base interactions energy: -72.005
where: short stacking energy: -55.789
Base-Backbone interact. energy: 0.010
local terms energy: -160.533466
where:
bonds (distance) C4'-P energy: -56.580
bonds (distance) P-C4' energy: -45.002
flat angles C4'-P-C4' energy: -34.066
flat angles P-C4'-P energy: -27.658
tors. eta vs tors. theta energy: 2.773
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: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -242.953015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.953015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.953015 (E_RNA)
where:
Base-Base interactions energy: -85.397
where: short stacking energy: -79.881
Base-Backbone interact. energy: -0.408
local terms energy: -157.147893
where:
bonds (distance) C4'-P energy: -44.264
bonds (distance) P-C4' energy: -49.402
flat angles C4'-P-C4' energy: -34.776
flat angles P-C4'-P energy: -24.128
tors. eta vs tors. theta energy: -4.578
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: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -934.602860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.602860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.602860 (E_RNA)
where:
Base-Base interactions energy: -657.868
where: short stacking energy: -273.947
Base-Backbone interact. energy: -1.247
local terms energy: -275.488273
where:
bonds (distance) C4'-P energy: -53.045
bonds (distance) P-C4' energy: -52.952
flat angles C4'-P-C4' energy: -57.022
flat angles P-C4'-P energy: -34.954
tors. eta vs tors. theta energy: -77.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -916.215573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.215573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.215573 (E_RNA)
where:
Base-Base interactions energy: -638.584
where: short stacking energy: -258.461
Base-Backbone interact. energy: -1.968
local terms energy: -275.664116
where:
bonds (distance) C4'-P energy: -54.029
bonds (distance) P-C4' energy: -51.175
flat angles C4'-P-C4' energy: -57.090
flat angles P-C4'-P energy: -36.644
tors. eta vs tors. theta energy: -76.726
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: 267
Temperature: 1.000000
Total energy: -852.768804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.768804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.768804 (E_RNA)
where:
Base-Base interactions energy: -596.001
where: short stacking energy: -246.343
Base-Backbone interact. energy: -0.574
local terms energy: -256.193268
where:
bonds (distance) C4'-P energy: -45.917
bonds (distance) P-C4' energy: -47.106
flat angles C4'-P-C4' energy: -58.060
flat angles P-C4'-P energy: -37.691
tors. eta vs tors. theta energy: -67.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -810.302228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.302228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.302228 (E_RNA)
where:
Base-Base interactions energy: -555.198
where: short stacking energy: -246.125
Base-Backbone interact. energy: -1.007
local terms energy: -254.097281
where:
bonds (distance) C4'-P energy: -35.051
bonds (distance) P-C4' energy: -48.705
flat angles C4'-P-C4' energy: -62.339
flat angles P-C4'-P energy: -38.995
tors. eta vs tors. theta energy: -69.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -772.655371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.655371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.655371 (E_RNA)
where:
Base-Base interactions energy: -536.262
where: short stacking energy: -229.102
Base-Backbone interact. energy: 2.244
local terms energy: -238.637305
where:
bonds (distance) C4'-P energy: -47.803
bonds (distance) P-C4' energy: -45.802
flat angles C4'-P-C4' energy: -60.366
flat angles P-C4'-P energy: -27.116
tors. eta vs tors. theta energy: -57.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -717.269325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.269325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.269325 (E_RNA)
where:
Base-Base interactions energy: -466.480
where: short stacking energy: -207.052
Base-Backbone interact. energy: -0.296
local terms energy: -250.493238
where:
bonds (distance) C4'-P energy: -41.171
bonds (distance) P-C4' energy: -50.564
flat angles C4'-P-C4' energy: -60.079
flat angles P-C4'-P energy: -43.679
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: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -533.014685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.014685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.014685 (E_RNA)
where:
Base-Base interactions energy: -324.216
where: short stacking energy: -170.715
Base-Backbone interact. energy: -0.985
local terms energy: -207.813824
where:
bonds (distance) C4'-P energy: -46.927
bonds (distance) P-C4' energy: -48.912
flat angles C4'-P-C4' energy: -40.292
flat angles P-C4'-P energy: -31.663
tors. eta vs tors. theta energy: -40.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -449.736941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.736941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.736941 (E_RNA)
where:
Base-Base interactions energy: -250.948
where: short stacking energy: -126.946
Base-Backbone interact. energy: -0.530
local terms energy: -198.259245
where:
bonds (distance) C4'-P energy: -51.744
bonds (distance) P-C4' energy: -38.982
flat angles C4'-P-C4' energy: -43.674
flat angles P-C4'-P energy: -28.630
tors. eta vs tors. theta energy: -35.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -241.220333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.220333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.220333 (E_RNA)
where:
Base-Base interactions energy: -105.024
where: short stacking energy: -71.478
Base-Backbone interact. energy: 0.365
local terms energy: -136.560839
where:
bonds (distance) C4'-P energy: -40.879
bonds (distance) P-C4' energy: -50.655
flat angles C4'-P-C4' energy: -40.869
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: 10.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -229.183060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.183060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.183060 (E_RNA)
where:
Base-Base interactions energy: -79.971
where: short stacking energy: -76.259
Base-Backbone interact. energy: 0.433
local terms energy: -149.644876
where:
bonds (distance) C4'-P energy: -49.376
bonds (distance) P-C4' energy: -46.957
flat angles C4'-P-C4' energy: -33.422
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -935.199535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.199535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.199535 (E_RNA)
where:
Base-Base interactions energy: -653.935
where: short stacking energy: -271.392
Base-Backbone interact. energy: 0.533
local terms energy: -281.798209
where:
bonds (distance) C4'-P energy: -46.016
bonds (distance) P-C4' energy: -53.220
flat angles C4'-P-C4' energy: -58.747
flat angles P-C4'-P energy: -47.681
tors. eta vs tors. theta energy: -76.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -939.299485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.299485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.299485 (E_RNA)
where:
Base-Base interactions energy: -642.659
where: short stacking energy: -265.035
Base-Backbone interact. energy: 0.153
local terms energy: -296.793610
where:
bonds (distance) C4'-P energy: -50.092
bonds (distance) P-C4' energy: -57.876
flat angles C4'-P-C4' energy: -63.970
flat angles P-C4'-P energy: -45.892
tors. eta vs tors. theta energy: -78.964
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: 268
Temperature: 1.000000
Total energy: -848.096454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.096454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.096454 (E_RNA)
where:
Base-Base interactions energy: -581.225
where: short stacking energy: -245.602
Base-Backbone interact. energy: -1.854
local terms energy: -265.016841
where:
bonds (distance) C4'-P energy: -48.368
bonds (distance) P-C4' energy: -52.972
flat angles C4'-P-C4' energy: -61.410
flat angles P-C4'-P energy: -32.868
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: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -809.501459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.501459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.501459 (E_RNA)
where:
Base-Base interactions energy: -563.248
where: short stacking energy: -243.788
Base-Backbone interact. energy: -1.203
local terms energy: -245.050548
where:
bonds (distance) C4'-P energy: -45.008
bonds (distance) P-C4' energy: -47.150
flat angles C4'-P-C4' energy: -53.634
flat angles P-C4'-P energy: -30.494
tors. eta vs tors. theta energy: -68.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -794.454792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.454792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.454792 (E_RNA)
where:
Base-Base interactions energy: -558.588
where: short stacking energy: -218.244
Base-Backbone interact. energy: 1.488
local terms energy: -237.355001
where:
bonds (distance) C4'-P energy: -47.045
bonds (distance) P-C4' energy: -46.064
flat angles C4'-P-C4' energy: -52.031
flat angles P-C4'-P energy: -39.757
tors. eta vs tors. theta energy: -52.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -727.732333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.732333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.732333 (E_RNA)
where:
Base-Base interactions energy: -501.499
where: short stacking energy: -236.402
Base-Backbone interact. energy: 1.597
local terms energy: -227.830034
where:
bonds (distance) C4'-P energy: -46.829
bonds (distance) P-C4' energy: -45.071
flat angles C4'-P-C4' energy: -40.505
flat angles P-C4'-P energy: -28.644
tors. eta vs tors. theta energy: -66.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -529.626708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.626708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.626708 (E_RNA)
where:
Base-Base interactions energy: -317.625
where: short stacking energy: -160.759
Base-Backbone interact. energy: -0.557
local terms energy: -211.445256
where:
bonds (distance) C4'-P energy: -41.521
bonds (distance) P-C4' energy: -45.626
flat angles C4'-P-C4' energy: -50.288
flat angles P-C4'-P energy: -33.117
tors. eta vs tors. theta energy: -40.894
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: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -424.724340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.724340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.724340 (E_RNA)
where:
Base-Base interactions energy: -228.538
where: short stacking energy: -121.682
Base-Backbone interact. energy: 0.870
local terms energy: -197.055611
where:
bonds (distance) C4'-P energy: -46.018
bonds (distance) P-C4' energy: -47.218
flat angles C4'-P-C4' energy: -54.359
flat angles P-C4'-P energy: -30.735
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -243.108588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.108588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.108588 (E_RNA)
where:
Base-Base interactions energy: -93.519
where: short stacking energy: -88.853
Base-Backbone interact. energy: -0.155
local terms energy: -149.434761
where:
bonds (distance) C4'-P energy: -41.592
bonds (distance) P-C4' energy: -46.569
flat angles C4'-P-C4' energy: -34.206
flat angles P-C4'-P energy: -27.799
tors. eta vs tors. theta energy: 0.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -229.645286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.645286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.645286 (E_RNA)
where:
Base-Base interactions energy: -87.880
where: short stacking energy: -79.957
Base-Backbone interact. energy: -0.668
local terms energy: -141.096516
where:
bonds (distance) C4'-P energy: -30.675
bonds (distance) P-C4' energy: -40.230
flat angles C4'-P-C4' energy: -43.734
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: -10.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -949.168595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.168595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.168595 (E_RNA)
where:
Base-Base interactions energy: -659.601
where: short stacking energy: -277.568
Base-Backbone interact. energy: -0.797
local terms energy: -288.771476
where:
bonds (distance) C4'-P energy: -48.380
bonds (distance) P-C4' energy: -56.422
flat angles C4'-P-C4' energy: -62.581
flat angles P-C4'-P energy: -41.349
tors. eta vs tors. theta energy: -80.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -915.185214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.185214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.185214 (E_RNA)
where:
Base-Base interactions energy: -629.694
where: short stacking energy: -257.586
Base-Backbone interact. energy: -2.197
local terms energy: -283.294241
where:
bonds (distance) C4'-P energy: -61.461
bonds (distance) P-C4' energy: -55.091
flat angles C4'-P-C4' energy: -54.001
flat angles P-C4'-P energy: -35.896
tors. eta vs tors. theta energy: -76.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -873.049301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.049301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.049301 (E_RNA)
where:
Base-Base interactions energy: -609.133
where: short stacking energy: -253.075
Base-Backbone interact. energy: -1.972
local terms energy: -261.944597
where:
bonds (distance) C4'-P energy: -45.971
bonds (distance) P-C4' energy: -49.046
flat angles C4'-P-C4' energy: -53.811
flat angles P-C4'-P energy: -37.430
tors. eta vs tors. theta energy: -75.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -824.916811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.916811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.916811 (E_RNA)
where:
Base-Base interactions energy: -566.722
where: short stacking energy: -227.032
Base-Backbone interact. energy: -1.399
local terms energy: -256.795916
where:
bonds (distance) C4'-P energy: -50.666
bonds (distance) P-C4' energy: -52.517
flat angles C4'-P-C4' energy: -52.850
flat angles P-C4'-P energy: -38.632
tors. eta vs tors. theta energy: -62.131
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: 10
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -779.267076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.267076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.267076 (E_RNA)
where:
Base-Base interactions energy: -528.156
where: short stacking energy: -239.964
Base-Backbone interact. energy: -0.196
local terms energy: -250.915659
where:
bonds (distance) C4'-P energy: -46.974
bonds (distance) P-C4' energy: -43.964
flat angles C4'-P-C4' energy: -59.032
flat angles P-C4'-P energy: -33.216
tors. eta vs tors. theta energy: -67.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -721.055287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.055287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.055287 (E_RNA)
where:
Base-Base interactions energy: -502.097
where: short stacking energy: -211.774
Base-Backbone interact. energy: -0.928
local terms energy: -218.029322
where:
bonds (distance) C4'-P energy: -42.188
bonds (distance) P-C4' energy: -42.663
flat angles C4'-P-C4' energy: -42.051
flat angles P-C4'-P energy: -31.720
tors. eta vs tors. theta energy: -59.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -521.972590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.972590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.972590 (E_RNA)
where:
Base-Base interactions energy: -315.356
where: short stacking energy: -148.792
Base-Backbone interact. energy: -1.915
local terms energy: -204.701904
where:
bonds (distance) C4'-P energy: -46.468
bonds (distance) P-C4' energy: -40.518
flat angles C4'-P-C4' energy: -59.536
flat angles P-C4'-P energy: -27.037
tors. eta vs tors. theta energy: -31.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -440.957385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.957385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.957385 (E_RNA)
where:
Base-Base interactions energy: -248.334
where: short stacking energy: -121.813
Base-Backbone interact. energy: -0.703
local terms energy: -191.920537
where:
bonds (distance) C4'-P energy: -44.872
bonds (distance) P-C4' energy: -46.033
flat angles C4'-P-C4' energy: -45.048
flat angles P-C4'-P energy: -27.014
tors. eta vs tors. theta energy: -28.952
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: 269
Temperature: 1.300000
Total energy: -230.114013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.114013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.114013 (E_RNA)
where:
Base-Base interactions energy: -93.282
where: short stacking energy: -82.892
Base-Backbone interact. energy: -0.605
local terms energy: -136.226613
where:
bonds (distance) C4'-P energy: -43.049
bonds (distance) P-C4' energy: -37.225
flat angles C4'-P-C4' energy: -36.139
flat angles P-C4'-P energy: -22.289
tors. eta vs tors. theta energy: 2.475
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: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -217.522423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.522423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.522423 (E_RNA)
where:
Base-Base interactions energy: -92.737
where: short stacking energy: -54.865
Base-Backbone interact. energy: -3.097
local terms energy: -121.688017
where:
bonds (distance) C4'-P energy: -42.058
bonds (distance) P-C4' energy: -41.037
flat angles C4'-P-C4' energy: -40.150
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: 14.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -945.526278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.526278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.526278 (E_RNA)
where:
Base-Base interactions energy: -665.175
where: short stacking energy: -253.352
Base-Backbone interact. energy: -3.178
local terms energy: -277.173756
where:
bonds (distance) C4'-P energy: -55.244
bonds (distance) P-C4' energy: -51.424
flat angles C4'-P-C4' energy: -53.178
flat angles P-C4'-P energy: -39.174
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: 5
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -919.894598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.894598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.894598 (E_RNA)
where:
Base-Base interactions energy: -647.491
where: short stacking energy: -244.403
Base-Backbone interact. energy: -2.248
local terms energy: -270.155768
where:
bonds (distance) C4'-P energy: -50.321
bonds (distance) P-C4' energy: -45.714
flat angles C4'-P-C4' energy: -62.779
flat angles P-C4'-P energy: -36.598
tors. eta vs tors. theta energy: -74.745
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: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -859.483548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.483548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.483548 (E_RNA)
where:
Base-Base interactions energy: -607.232
where: short stacking energy: -246.811
Base-Backbone interact. energy: 1.638
local terms energy: -253.889229
where:
bonds (distance) C4'-P energy: -44.857
bonds (distance) P-C4' energy: -48.803
flat angles C4'-P-C4' energy: -53.754
flat angles P-C4'-P energy: -37.917
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: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -838.169065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.169065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.169065 (E_RNA)
where:
Base-Base interactions energy: -583.584
where: short stacking energy: -220.683
Base-Backbone interact. energy: 8.253
local terms energy: -262.837924
where:
bonds (distance) C4'-P energy: -55.623
bonds (distance) P-C4' energy: -48.169
flat angles C4'-P-C4' energy: -56.595
flat angles P-C4'-P energy: -35.850
tors. eta vs tors. theta energy: -66.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -723.388685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.388685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.388685 (E_RNA)
where:
Base-Base interactions energy: -500.594
where: short stacking energy: -210.802
Base-Backbone interact. energy: 1.180
local terms energy: -223.974446
where:
bonds (distance) C4'-P energy: -44.070
bonds (distance) P-C4' energy: -45.121
flat angles C4'-P-C4' energy: -50.142
flat angles P-C4'-P energy: -30.456
tors. eta vs tors. theta energy: -54.185
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: 10
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -763.449021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.449021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.449021 (E_RNA)
where:
Base-Base interactions energy: -512.830
where: short stacking energy: -231.172
Base-Backbone interact. energy: -1.412
local terms energy: -249.207551
where:
bonds (distance) C4'-P energy: -46.714
bonds (distance) P-C4' energy: -46.847
flat angles C4'-P-C4' energy: -54.794
flat angles P-C4'-P energy: -38.495
tors. eta vs tors. theta energy: -62.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -531.771326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.771326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.771326 (E_RNA)
where:
Base-Base interactions energy: -318.490
where: short stacking energy: -149.282
Base-Backbone interact. energy: -1.933
local terms energy: -211.348652
where:
bonds (distance) C4'-P energy: -52.575
bonds (distance) P-C4' energy: -48.007
flat angles C4'-P-C4' energy: -53.371
flat angles P-C4'-P energy: -24.370
tors. eta vs tors. theta energy: -33.026
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: 8, replica: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -430.049275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.049275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.049275 (E_RNA)
where:
Base-Base interactions energy: -246.215
where: short stacking energy: -128.159
Base-Backbone interact. energy: 1.343
local terms energy: -185.177062
where:
bonds (distance) C4'-P energy: -51.402
bonds (distance) P-C4' energy: -30.522
flat angles C4'-P-C4' energy: -44.337
flat angles P-C4'-P energy: -36.525
tors. eta vs tors. theta energy: -22.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -238.261945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.261945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.261945 (E_RNA)
where:
Base-Base interactions energy: -83.868
where: short stacking energy: -75.996
Base-Backbone interact. energy: -0.569
local terms energy: -153.825295
where:
bonds (distance) C4'-P energy: -46.889
bonds (distance) P-C4' energy: -47.604
flat angles C4'-P-C4' energy: -45.961
flat angles P-C4'-P energy: -21.984
tors. eta vs tors. theta energy: 8.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -232.279747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.279747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.279747 (E_RNA)
where:
Base-Base interactions energy: -75.638
where: short stacking energy: -67.583
Base-Backbone interact. energy: 0.456
local terms energy: -157.097664
where:
bonds (distance) C4'-P energy: -53.259
bonds (distance) P-C4' energy: -41.479
flat angles C4'-P-C4' energy: -41.384
flat angles P-C4'-P energy: -25.878
tors. eta vs tors. theta energy: 4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -940.607366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.607366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.607366 (E_RNA)
where:
Base-Base interactions energy: -663.759
where: short stacking energy: -294.344
Base-Backbone interact. energy: -0.804
local terms energy: -276.044294
where:
bonds (distance) C4'-P energy: -46.865
bonds (distance) P-C4' energy: -50.809
flat angles C4'-P-C4' energy: -62.213
flat angles P-C4'-P energy: -35.620
tors. eta vs tors. theta energy: -80.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -916.763389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.763389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.763389 (E_RNA)
where:
Base-Base interactions energy: -634.036
where: short stacking energy: -258.327
Base-Backbone interact. energy: -1.179
local terms energy: -281.547755
where:
bonds (distance) C4'-P energy: -53.603
bonds (distance) P-C4' energy: -56.691
flat angles C4'-P-C4' energy: -57.223
flat angles P-C4'-P energy: -35.247
tors. eta vs tors. theta energy: -78.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -879.441537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.441537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.441537 (E_RNA)
where:
Base-Base interactions energy: -603.481
where: short stacking energy: -247.228
Base-Backbone interact. energy: -1.593
local terms energy: -274.366968
where:
bonds (distance) C4'-P energy: -53.127
bonds (distance) P-C4' energy: -54.541
flat angles C4'-P-C4' energy: -51.050
flat angles P-C4'-P energy: -34.033
tors. eta vs tors. theta energy: -81.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -827.640900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.640900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.640900 (E_RNA)
where:
Base-Base interactions energy: -574.760
where: short stacking energy: -218.826
Base-Backbone interact. energy: -1.132
local terms energy: -251.748710
where:
bonds (distance) C4'-P energy: -40.194
bonds (distance) P-C4' energy: -47.946
flat angles C4'-P-C4' energy: -61.873
flat angles P-C4'-P energy: -36.312
tors. eta vs tors. theta energy: -65.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -724.416166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.416166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.416166 (E_RNA)
where:
Base-Base interactions energy: -486.866
where: short stacking energy: -201.309
Base-Backbone interact. energy: 0.887
local terms energy: -238.437072
where:
bonds (distance) C4'-P energy: -39.175
bonds (distance) P-C4' energy: -51.953
flat angles C4'-P-C4' energy: -53.973
flat angles P-C4'-P energy: -35.683
tors. eta vs tors. theta energy: -57.653
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: 10
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -766.122451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.122451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.122451 (E_RNA)
where:
Base-Base interactions energy: -527.777
where: short stacking energy: -226.477
Base-Backbone interact. energy: -0.954
local terms energy: -237.391651
where:
bonds (distance) C4'-P energy: -44.248
bonds (distance) P-C4' energy: -52.181
flat angles C4'-P-C4' energy: -55.276
flat angles P-C4'-P energy: -30.598
tors. eta vs tors. theta energy: -55.088
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: 271
Temperature: 1.200000
Total energy: -523.080215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.080215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.080215 (E_RNA)
where:
Base-Base interactions energy: -326.848
where: short stacking energy: -182.806
Base-Backbone interact. energy: -0.734
local terms energy: -195.497683
where:
bonds (distance) C4'-P energy: -40.838
bonds (distance) P-C4' energy: -42.593
flat angles C4'-P-C4' energy: -45.742
flat angles P-C4'-P energy: -27.106
tors. eta vs tors. theta energy: -39.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -408.841452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.841452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.841452 (E_RNA)
where:
Base-Base interactions energy: -222.175
where: short stacking energy: -124.410
Base-Backbone interact. energy: 0.284
local terms energy: -186.950140
where:
bonds (distance) C4'-P energy: -40.679
bonds (distance) P-C4' energy: -47.745
flat angles C4'-P-C4' energy: -44.654
flat angles P-C4'-P energy: -33.012
tors. eta vs tors. theta energy: -20.860
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: 8
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -241.367882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.367882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.367882 (E_RNA)
where:
Base-Base interactions energy: -92.906
where: short stacking energy: -59.014
Base-Backbone interact. energy: -2.194
local terms energy: -146.267955
where:
bonds (distance) C4'-P energy: -46.470
bonds (distance) P-C4' energy: -51.179
flat angles C4'-P-C4' energy: -31.364
flat angles P-C4'-P energy: -19.495
tors. eta vs tors. theta energy: 2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -234.137533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.137533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.137533 (E_RNA)
where:
Base-Base interactions energy: -93.543
where: short stacking energy: -76.306
Base-Backbone interact. energy: 3.915
local terms energy: -144.508909
where:
bonds (distance) C4'-P energy: -42.446
bonds (distance) P-C4' energy: -43.509
flat angles C4'-P-C4' energy: -38.805
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -4.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -939.659002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.659002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.659002 (E_RNA)
where:
Base-Base interactions energy: -647.885
where: short stacking energy: -264.940
Base-Backbone interact. energy: 4.522
local terms energy: -296.296209
where:
bonds (distance) C4'-P energy: -49.424
bonds (distance) P-C4' energy: -62.591
flat angles C4'-P-C4' energy: -61.791
flat angles P-C4'-P energy: -40.854
tors. eta vs tors. theta energy: -81.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -920.407942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.407942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.407942 (E_RNA)
where:
Base-Base interactions energy: -638.027
where: short stacking energy: -252.167
Base-Backbone interact. energy: -1.619
local terms energy: -280.762005
where:
bonds (distance) C4'-P energy: -39.251
bonds (distance) P-C4' energy: -61.359
flat angles C4'-P-C4' energy: -60.725
flat angles P-C4'-P energy: -39.559
tors. eta vs tors. theta energy: -79.869
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: 2
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -846.552036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.552036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.552036 (E_RNA)
where:
Base-Base interactions energy: -591.677
where: short stacking energy: -231.835
Base-Backbone interact. energy: 0.236
local terms energy: -255.111271
where:
bonds (distance) C4'-P energy: -49.769
bonds (distance) P-C4' energy: -48.567
flat angles C4'-P-C4' energy: -54.522
flat angles P-C4'-P energy: -35.946
tors. eta vs tors. theta energy: -66.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -834.132840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.132840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.132840 (E_RNA)
where:
Base-Base interactions energy: -572.836
where: short stacking energy: -240.373
Base-Backbone interact. energy: -1.013
local terms energy: -260.283689
where:
bonds (distance) C4'-P energy: -38.705
bonds (distance) P-C4' energy: -61.260
flat angles C4'-P-C4' energy: -62.450
flat angles P-C4'-P energy: -26.628
tors. eta vs tors. theta energy: -71.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -785.864841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.864841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.864841 (E_RNA)
where:
Base-Base interactions energy: -524.530
where: short stacking energy: -233.395
Base-Backbone interact. energy: -0.006
local terms energy: -261.329300
where:
bonds (distance) C4'-P energy: -44.621
bonds (distance) P-C4' energy: -58.125
flat angles C4'-P-C4' energy: -54.318
flat angles P-C4'-P energy: -37.272
tors. eta vs tors. theta energy: -66.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -706.835178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.835178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.835178 (E_RNA)
where:
Base-Base interactions energy: -461.566
where: short stacking energy: -181.483
Base-Backbone interact. energy: -4.091
local terms energy: -241.178339
where:
bonds (distance) C4'-P energy: -45.158
bonds (distance) P-C4' energy: -59.105
flat angles C4'-P-C4' energy: -56.792
flat angles P-C4'-P energy: -36.728
tors. eta vs tors. theta energy: -43.395
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: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -519.803532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.803532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.803532 (E_RNA)
where:
Base-Base interactions energy: -315.109
where: short stacking energy: -159.010
Base-Backbone interact. energy: 0.691
local terms energy: -205.385472
where:
bonds (distance) C4'-P energy: -36.423
bonds (distance) P-C4' energy: -43.807
flat angles C4'-P-C4' energy: -52.464
flat angles P-C4'-P energy: -33.475
tors. eta vs tors. theta energy: -39.216
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: 4
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -412.961833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.961833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.961833 (E_RNA)
where:
Base-Base interactions energy: -228.979
where: short stacking energy: -106.963
Base-Backbone interact. energy: -1.488
local terms energy: -182.494526
where:
bonds (distance) C4'-P energy: -37.944
bonds (distance) P-C4' energy: -47.880
flat angles C4'-P-C4' energy: -49.758
flat angles P-C4'-P energy: -29.100
tors. eta vs tors. theta energy: -17.813
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: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -251.166540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.166540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.166540 (E_RNA)
where:
Base-Base interactions energy: -87.935
where: short stacking energy: -69.086
Base-Backbone interact. energy: 1.550
local terms energy: -164.782027
where:
bonds (distance) C4'-P energy: -42.796
bonds (distance) P-C4' energy: -52.291
flat angles C4'-P-C4' energy: -36.727
flat angles P-C4'-P energy: -30.555
tors. eta vs tors. theta energy: -2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -268.981336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.981336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.981336 (E_RNA)
where:
Base-Base interactions energy: -112.732
where: short stacking energy: -60.373
Base-Backbone interact. energy: -0.963
local terms energy: -155.286737
where:
bonds (distance) C4'-P energy: -44.419
bonds (distance) P-C4' energy: -49.514
flat angles C4'-P-C4' energy: -35.158
flat angles P-C4'-P energy: -26.134
tors. eta vs tors. theta energy: -0.061
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: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -945.300604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.300604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.300604 (E_RNA)
where:
Base-Base interactions energy: -646.907
where: short stacking energy: -279.683
Base-Backbone interact. energy: -1.987
local terms energy: -296.406655
where:
bonds (distance) C4'-P energy: -49.562
bonds (distance) P-C4' energy: -51.925
flat angles C4'-P-C4' energy: -61.733
flat angles P-C4'-P energy: -46.917
tors. eta vs tors. theta energy: -86.269
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: 5
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -922.915636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.915636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.915636 (E_RNA)
where:
Base-Base interactions energy: -632.605
where: short stacking energy: -256.775
Base-Backbone interact. energy: -0.233
local terms energy: -290.077901
where:
bonds (distance) C4'-P energy: -46.331
bonds (distance) P-C4' energy: -55.035
flat angles C4'-P-C4' energy: -62.625
flat angles P-C4'-P energy: -44.458
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: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -849.673007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.673007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.673007 (E_RNA)
where:
Base-Base interactions energy: -603.213
where: short stacking energy: -230.713
Base-Backbone interact. energy: 0.058
local terms energy: -246.517257
where:
bonds (distance) C4'-P energy: -38.468
bonds (distance) P-C4' energy: -55.617
flat angles C4'-P-C4' energy: -46.143
flat angles P-C4'-P energy: -39.027
tors. eta vs tors. theta energy: -67.262
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: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -841.229567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.229567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.229567 (E_RNA)
where:
Base-Base interactions energy: -574.151
where: short stacking energy: -233.717
Base-Backbone interact. energy: 0.102
local terms energy: -267.179796
where:
bonds (distance) C4'-P energy: -49.518
bonds (distance) P-C4' energy: -53.375
flat angles C4'-P-C4' energy: -55.545
flat angles P-C4'-P energy: -37.202
tors. eta vs tors. theta energy: -71.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -792.184003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.184003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.184003 (E_RNA)
where:
Base-Base interactions energy: -535.215
where: short stacking energy: -241.241
Base-Backbone interact. energy: 1.191
local terms energy: -258.159813
where:
bonds (distance) C4'-P energy: -46.792
bonds (distance) P-C4' energy: -45.775
flat angles C4'-P-C4' energy: -61.044
flat angles P-C4'-P energy: -32.770
tors. eta vs tors. theta energy: -71.778
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: 6
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -690.521230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.521230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.521230 (E_RNA)
where:
Base-Base interactions energy: -447.190
where: short stacking energy: -201.992
Base-Backbone interact. energy: 1.244
local terms energy: -244.575366
where:
bonds (distance) C4'-P energy: -46.913
bonds (distance) P-C4' energy: -54.138
flat angles C4'-P-C4' energy: -62.257
flat angles P-C4'-P energy: -27.033
tors. eta vs tors. theta energy: -54.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -502.363006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.363006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.363006 (E_RNA)
where:
Base-Base interactions energy: -316.583
where: short stacking energy: -154.398
Base-Backbone interact. energy: -1.274
local terms energy: -184.505282
where:
bonds (distance) C4'-P energy: -43.957
bonds (distance) P-C4' energy: -38.035
flat angles C4'-P-C4' energy: -52.926
flat angles P-C4'-P energy: -18.217
tors. eta vs tors. theta energy: -31.371
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: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -441.939460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.939460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.939460 (E_RNA)
where:
Base-Base interactions energy: -253.834
where: short stacking energy: -145.845
Base-Backbone interact. energy: 2.465
local terms energy: -190.571213
where:
bonds (distance) C4'-P energy: -38.757
bonds (distance) P-C4' energy: -42.746
flat angles C4'-P-C4' energy: -44.433
flat angles P-C4'-P energy: -28.148
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: 9, replica: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -253.555529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.555529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.555529 (E_RNA)
where:
Base-Base interactions energy: -89.532
where: short stacking energy: -73.387
Base-Backbone interact. energy: -0.342
local terms energy: -163.682031
where:
bonds (distance) C4'-P energy: -51.916
bonds (distance) P-C4' energy: -44.458
flat angles C4'-P-C4' energy: -41.702
flat angles P-C4'-P energy: -24.826
tors. eta vs tors. theta energy: -0.781
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: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -314.695846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.695846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.695846 (E_RNA)
where:
Base-Base interactions energy: -155.556
where: short stacking energy: -85.599
Base-Backbone interact. energy: -0.213
local terms energy: -158.926336
where:
bonds (distance) C4'-P energy: -50.661
bonds (distance) P-C4' energy: -36.445
flat angles C4'-P-C4' energy: -36.814
flat angles P-C4'-P energy: -23.379
tors. eta vs tors. theta energy: -11.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -928.350635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.350635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.350635 (E_RNA)
where:
Base-Base interactions energy: -642.038
where: short stacking energy: -258.236
Base-Backbone interact. energy: -0.555
local terms energy: -285.757629
where:
bonds (distance) C4'-P energy: -53.641
bonds (distance) P-C4' energy: -53.177
flat angles C4'-P-C4' energy: -58.384
flat angles P-C4'-P energy: -44.167
tors. eta vs tors. theta energy: -76.389
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: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -921.798714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.798714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.798714 (E_RNA)
where:
Base-Base interactions energy: -648.167
where: short stacking energy: -267.372
Base-Backbone interact. energy: -0.641
local terms energy: -272.990311
where:
bonds (distance) C4'-P energy: -42.239
bonds (distance) P-C4' energy: -49.270
flat angles C4'-P-C4' energy: -59.950
flat angles P-C4'-P energy: -42.748
tors. eta vs tors. theta energy: -78.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -872.118185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.118185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.118185 (E_RNA)
where:
Base-Base interactions energy: -619.990
where: short stacking energy: -238.045
Base-Backbone interact. energy: -1.218
local terms energy: -250.910398
where:
bonds (distance) C4'-P energy: -49.203
bonds (distance) P-C4' energy: -49.679
flat angles C4'-P-C4' energy: -50.715
flat angles P-C4'-P energy: -38.969
tors. eta vs tors. theta energy: -62.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -838.876571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.876571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.876571 (E_RNA)
where:
Base-Base interactions energy: -582.964
where: short stacking energy: -220.094
Base-Backbone interact. energy: -1.624
local terms energy: -254.288392
where:
bonds (distance) C4'-P energy: -45.384
bonds (distance) P-C4' energy: -49.280
flat angles C4'-P-C4' energy: -54.520
flat angles P-C4'-P energy: -44.545
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: 5, replica: 10
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -764.464782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.464782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.464782 (E_RNA)
where:
Base-Base interactions energy: -504.154
where: short stacking energy: -215.658
Base-Backbone interact. energy: -1.074
local terms energy: -259.236755
where:
bonds (distance) C4'-P energy: -44.938
bonds (distance) P-C4' energy: -56.987
flat angles C4'-P-C4' energy: -54.058
flat angles P-C4'-P energy: -36.000
tors. eta vs tors. theta energy: -67.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -688.253267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.253267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.253267 (E_RNA)
where:
Base-Base interactions energy: -469.326
where: short stacking energy: -192.294
Base-Backbone interact. energy: -0.823
local terms energy: -218.104510
where:
bonds (distance) C4'-P energy: -42.504
bonds (distance) P-C4' energy: -42.081
flat angles C4'-P-C4' energy: -53.841
flat angles P-C4'-P energy: -28.804
tors. eta vs tors. theta energy: -50.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -536.666554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.666554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.666554 (E_RNA)
where:
Base-Base interactions energy: -324.070
where: short stacking energy: -172.186
Base-Backbone interact. energy: -0.480
local terms energy: -212.116381
where:
bonds (distance) C4'-P energy: -36.792
bonds (distance) P-C4' energy: -47.895
flat angles C4'-P-C4' energy: -55.501
flat angles P-C4'-P energy: -28.780
tors. eta vs tors. theta energy: -43.148
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: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -436.520659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.520659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.520659 (E_RNA)
where:
Base-Base interactions energy: -242.487
where: short stacking energy: -115.240
Base-Backbone interact. energy: 1.076
local terms energy: -195.109943
where:
bonds (distance) C4'-P energy: -44.803
bonds (distance) P-C4' energy: -43.972
flat angles C4'-P-C4' energy: -51.199
flat angles P-C4'-P energy: -31.654
tors. eta vs tors. theta energy: -23.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -327.182178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.182178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.182178 (E_RNA)
where:
Base-Base interactions energy: -172.767
where: short stacking energy: -99.326
Base-Backbone interact. energy: 0.724
local terms energy: -155.138788
where:
bonds (distance) C4'-P energy: -50.375
bonds (distance) P-C4' energy: -50.309
flat angles C4'-P-C4' energy: -48.484
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: 0.594
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: 274
Temperature: 1.350000
Total energy: -213.557692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.557692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.557692 (E_RNA)
where:
Base-Base interactions energy: -66.650
where: short stacking energy: -56.072
Base-Backbone interact. energy: 1.674
local terms energy: -148.581617
where:
bonds (distance) C4'-P energy: -41.255
bonds (distance) P-C4' energy: -53.619
flat angles C4'-P-C4' energy: -45.572
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: 7.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -939.758726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.758726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.758726 (E_RNA)
where:
Base-Base interactions energy: -646.901
where: short stacking energy: -278.585
Base-Backbone interact. energy: -0.338
local terms energy: -292.520101
where:
bonds (distance) C4'-P energy: -49.139
bonds (distance) P-C4' energy: -56.501
flat angles C4'-P-C4' energy: -63.761
flat angles P-C4'-P energy: -39.722
tors. eta vs tors. theta energy: -83.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -941.917857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.917857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.917857 (E_RNA)
where:
Base-Base interactions energy: -654.626
where: short stacking energy: -275.322
Base-Backbone interact. energy: -0.273
local terms energy: -287.019250
where:
bonds (distance) C4'-P energy: -50.765
bonds (distance) P-C4' energy: -50.209
flat angles C4'-P-C4' energy: -63.115
flat angles P-C4'-P energy: -40.419
tors. eta vs tors. theta energy: -82.511
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: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -892.158614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.158614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.158614 (E_RNA)
where:
Base-Base interactions energy: -631.049
where: short stacking energy: -249.181
Base-Backbone interact. energy: -1.365
local terms energy: -259.744966
where:
bonds (distance) C4'-P energy: -50.931
bonds (distance) P-C4' energy: -53.206
flat angles C4'-P-C4' energy: -56.792
flat angles P-C4'-P energy: -34.187
tors. eta vs tors. theta energy: -64.629
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: 1
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -839.088592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.088592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.088592 (E_RNA)
where:
Base-Base interactions energy: -573.245
where: short stacking energy: -242.619
Base-Backbone interact. energy: -0.874
local terms energy: -264.969602
where:
bonds (distance) C4'-P energy: -42.750
bonds (distance) P-C4' energy: -51.530
flat angles C4'-P-C4' energy: -59.191
flat angles P-C4'-P energy: -41.474
tors. eta vs tors. theta energy: -70.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -820.769286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.769286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.769286 (E_RNA)
where:
Base-Base interactions energy: -553.162
where: short stacking energy: -238.839
Base-Backbone interact. energy: -0.419
local terms energy: -267.188297
where:
bonds (distance) C4'-P energy: -55.932
bonds (distance) P-C4' energy: -44.909
flat angles C4'-P-C4' energy: -59.828
flat angles P-C4'-P energy: -39.518
tors. eta vs tors. theta energy: -67.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -718.659211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.659211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.659211 (E_RNA)
where:
Base-Base interactions energy: -470.954
where: short stacking energy: -206.865
Base-Backbone interact. energy: -1.768
local terms energy: -245.937103
where:
bonds (distance) C4'-P energy: -45.643
bonds (distance) P-C4' energy: -48.850
flat angles C4'-P-C4' energy: -53.320
flat angles P-C4'-P energy: -41.699
tors. eta vs tors. theta energy: -56.426
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: 7
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -547.054520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.054520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.054520 (E_RNA)
where:
Base-Base interactions energy: -318.709
where: short stacking energy: -176.209
Base-Backbone interact. energy: -1.021
local terms energy: -227.324887
where:
bonds (distance) C4'-P energy: -52.797
bonds (distance) P-C4' energy: -50.349
flat angles C4'-P-C4' energy: -46.304
flat angles P-C4'-P energy: -30.237
tors. eta vs tors. theta energy: -47.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -449.726242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.726242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.726242 (E_RNA)
where:
Base-Base interactions energy: -277.825
where: short stacking energy: -131.974
Base-Backbone interact. energy: -0.745
local terms energy: -171.155863
where:
bonds (distance) C4'-P energy: -41.671
bonds (distance) P-C4' energy: -28.377
flat angles C4'-P-C4' energy: -52.836
flat angles P-C4'-P energy: -28.564
tors. eta vs tors. theta energy: -19.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -325.867525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.867525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.867525 (E_RNA)
where:
Base-Base interactions energy: -154.091
where: short stacking energy: -104.961
Base-Backbone interact. energy: -0.648
local terms energy: -171.128708
where:
bonds (distance) C4'-P energy: -44.044
bonds (distance) P-C4' energy: -43.346
flat angles C4'-P-C4' energy: -41.019
flat angles P-C4'-P energy: -27.523
tors. eta vs tors. theta energy: -15.197
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: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -221.451138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.451138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.451138 (E_RNA)
where:
Base-Base interactions energy: -64.997
where: short stacking energy: -61.374
Base-Backbone interact. energy: 0.521
local terms energy: -156.975230
where:
bonds (distance) C4'-P energy: -41.411
bonds (distance) P-C4' energy: -58.392
flat angles C4'-P-C4' energy: -27.590
flat angles P-C4'-P energy: -24.291
tors. eta vs tors. theta energy: -5.291
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: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -940.116381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.116381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.116381 (E_RNA)
where:
Base-Base interactions energy: -652.988
where: short stacking energy: -275.454
Base-Backbone interact. energy: -2.411
local terms energy: -284.717027
where:
bonds (distance) C4'-P energy: -43.449
bonds (distance) P-C4' energy: -51.492
flat angles C4'-P-C4' energy: -64.267
flat angles P-C4'-P energy: -45.539
tors. eta vs tors. theta energy: -79.970
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: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -909.925737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.925737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.925737 (E_RNA)
where:
Base-Base interactions energy: -620.775
where: short stacking energy: -266.646
Base-Backbone interact. energy: -1.550
local terms energy: -287.600069
where:
bonds (distance) C4'-P energy: -55.650
bonds (distance) P-C4' energy: -48.629
flat angles C4'-P-C4' energy: -61.487
flat angles P-C4'-P energy: -42.237
tors. eta vs tors. theta energy: -79.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -881.489579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.489579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.489579 (E_RNA)
where:
Base-Base interactions energy: -624.399
where: short stacking energy: -251.850
Base-Backbone interact. energy: -1.146
local terms energy: -255.944491
where:
bonds (distance) C4'-P energy: -52.081
bonds (distance) P-C4' energy: -45.898
flat angles C4'-P-C4' energy: -52.225
flat angles P-C4'-P energy: -36.709
tors. eta vs tors. theta energy: -69.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -861.792438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.792438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.792438 (E_RNA)
where:
Base-Base interactions energy: -603.231
where: short stacking energy: -249.590
Base-Backbone interact. energy: -1.316
local terms energy: -257.245418
where:
bonds (distance) C4'-P energy: -46.599
bonds (distance) P-C4' energy: -40.484
flat angles C4'-P-C4' energy: -55.774
flat angles P-C4'-P energy: -40.547
tors. eta vs tors. theta energy: -73.843
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: 10
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -785.208928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.208928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.208928 (E_RNA)
where:
Base-Base interactions energy: -544.465
where: short stacking energy: -250.709
Base-Backbone interact. energy: -0.594
local terms energy: -240.149872
where:
bonds (distance) C4'-P energy: -39.793
bonds (distance) P-C4' energy: -44.821
flat angles C4'-P-C4' energy: -54.517
flat angles P-C4'-P energy: -28.173
tors. eta vs tors. theta energy: -72.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -708.749941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.749941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.749941 (E_RNA)
where:
Base-Base interactions energy: -470.266
where: short stacking energy: -191.601
Base-Backbone interact. energy: -1.913
local terms energy: -236.571239
where:
bonds (distance) C4'-P energy: -51.476
bonds (distance) P-C4' energy: -43.289
flat angles C4'-P-C4' energy: -53.056
flat angles P-C4'-P energy: -34.128
tors. eta vs tors. theta energy: -54.623
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: 4
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -460.250659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.250659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.250659 (E_RNA)
where:
Base-Base interactions energy: -268.982
where: short stacking energy: -137.846
Base-Backbone interact. energy: -1.276
local terms energy: -189.992940
where:
bonds (distance) C4'-P energy: -50.832
bonds (distance) P-C4' energy: -50.650
flat angles C4'-P-C4' energy: -42.387
flat angles P-C4'-P energy: -26.359
tors. eta vs tors. theta energy: -19.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -486.534273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.534273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.534273 (E_RNA)
where:
Base-Base interactions energy: -305.944
where: short stacking energy: -145.762
Base-Backbone interact. energy: -1.981
local terms energy: -178.608939
where:
bonds (distance) C4'-P energy: -39.569
bonds (distance) P-C4' energy: -46.831
flat angles C4'-P-C4' energy: -40.323
flat angles P-C4'-P energy: -28.905
tors. eta vs tors. theta energy: -22.980
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: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -330.782905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.782905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.782905 (E_RNA)
where:
Base-Base interactions energy: -145.810
where: short stacking energy: -77.131
Base-Backbone interact. energy: -0.138
local terms energy: -184.835062
where:
bonds (distance) C4'-P energy: -47.872
bonds (distance) P-C4' energy: -47.365
flat angles C4'-P-C4' energy: -48.640
flat angles P-C4'-P energy: -30.912
tors. eta vs tors. theta energy: -10.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -219.350624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.350624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.350624 (E_RNA)
where:
Base-Base interactions energy: -79.560
where: short stacking energy: -57.798
Base-Backbone interact. energy: -0.565
local terms energy: -139.225998
where:
bonds (distance) C4'-P energy: -51.830
bonds (distance) P-C4' energy: -38.574
flat angles C4'-P-C4' energy: -39.482
flat angles P-C4'-P energy: -24.498
tors. eta vs tors. theta energy: 15.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -938.485416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.485416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.485416 (E_RNA)
where:
Base-Base interactions energy: -656.447
where: short stacking energy: -265.788
Base-Backbone interact. energy: -1.895
local terms energy: -280.143667
where:
bonds (distance) C4'-P energy: -52.945
bonds (distance) P-C4' energy: -54.944
flat angles C4'-P-C4' energy: -58.613
flat angles P-C4'-P energy: -37.541
tors. eta vs tors. theta energy: -76.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -899.593454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.593454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.593454 (E_RNA)
where:
Base-Base interactions energy: -621.363
where: short stacking energy: -246.021
Base-Backbone interact. energy: -2.850
local terms energy: -275.379645
where:
bonds (distance) C4'-P energy: -44.636
bonds (distance) P-C4' energy: -56.657
flat angles C4'-P-C4' energy: -53.305
flat angles P-C4'-P energy: -42.717
tors. eta vs tors. theta energy: -78.064
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: 3, replica: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -893.461992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.461992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.461992 (E_RNA)
where:
Base-Base interactions energy: -627.997
where: short stacking energy: -240.895
Base-Backbone interact. energy: -2.392
local terms energy: -263.073743
where:
bonds (distance) C4'-P energy: -49.973
bonds (distance) P-C4' energy: -58.424
flat angles C4'-P-C4' energy: -56.409
flat angles P-C4'-P energy: -30.284
tors. eta vs tors. theta energy: -67.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -851.520264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.520264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.520264 (E_RNA)
where:
Base-Base interactions energy: -573.955
where: short stacking energy: -245.593
Base-Backbone interact. energy: -0.238
local terms energy: -277.327324
where:
bonds (distance) C4'-P energy: -48.393
bonds (distance) P-C4' energy: -53.659
flat angles C4'-P-C4' energy: -58.549
flat angles P-C4'-P energy: -45.235
tors. eta vs tors. theta energy: -71.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -747.059114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.059114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.059114 (E_RNA)
where:
Base-Base interactions energy: -511.803
where: short stacking energy: -226.568
Base-Backbone interact. energy: -0.460
local terms energy: -234.796206
where:
bonds (distance) C4'-P energy: -41.498
bonds (distance) P-C4' energy: -38.640
flat angles C4'-P-C4' energy: -54.486
flat angles P-C4'-P energy: -37.110
tors. eta vs tors. theta energy: -63.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -690.863924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.863924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.863924 (E_RNA)
where:
Base-Base interactions energy: -465.058
where: short stacking energy: -195.783
Base-Backbone interact. energy: -0.803
local terms energy: -225.003360
where:
bonds (distance) C4'-P energy: -44.798
bonds (distance) P-C4' energy: -52.532
flat angles C4'-P-C4' energy: -48.076
flat angles P-C4'-P energy: -26.339
tors. eta vs tors. theta energy: -53.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -493.873473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.873473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.873473 (E_RNA)
where:
Base-Base interactions energy: -301.597
where: short stacking energy: -155.393
Base-Backbone interact. energy: -0.685
local terms energy: -191.591876
where:
bonds (distance) C4'-P energy: -44.958
bonds (distance) P-C4' energy: -43.139
flat angles C4'-P-C4' energy: -43.268
flat angles P-C4'-P energy: -35.482
tors. eta vs tors. theta energy: -24.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -520.438003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.438003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.438003 (E_RNA)
where:
Base-Base interactions energy: -318.505
where: short stacking energy: -161.860
Base-Backbone interact. energy: 0.389
local terms energy: -202.321920
where:
bonds (distance) C4'-P energy: -44.427
bonds (distance) P-C4' energy: -48.720
flat angles C4'-P-C4' energy: -36.096
flat angles P-C4'-P energy: -36.089
tors. eta vs tors. theta energy: -36.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -234.292520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.292520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.292520 (E_RNA)
where:
Base-Base interactions energy: -80.515
where: short stacking energy: -64.029
Base-Backbone interact. energy: -0.744
local terms energy: -153.032717
where:
bonds (distance) C4'-P energy: -51.064
bonds (distance) P-C4' energy: -50.060
flat angles C4'-P-C4' energy: -42.160
flat angles P-C4'-P energy: -19.649
tors. eta vs tors. theta energy: 9.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -247.011302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.011302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.011302 (E_RNA)
where:
Base-Base interactions energy: -84.925
where: short stacking energy: -80.172
Base-Backbone interact. energy: -0.519
local terms energy: -161.567220
where:
bonds (distance) C4'-P energy: -42.810
bonds (distance) P-C4' energy: -46.806
flat angles C4'-P-C4' energy: -41.400
flat angles P-C4'-P energy: -29.297
tors. eta vs tors. theta energy: -1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -927.028366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.028366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.028366 (E_RNA)
where:
Base-Base interactions energy: -649.993
where: short stacking energy: -271.654
Base-Backbone interact. energy: 0.345
local terms energy: -277.380253
where:
bonds (distance) C4'-P energy: -49.742
bonds (distance) P-C4' energy: -50.771
flat angles C4'-P-C4' energy: -56.301
flat angles P-C4'-P energy: -41.871
tors. eta vs tors. theta energy: -78.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -920.457434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.457434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.457434 (E_RNA)
where:
Base-Base interactions energy: -637.289
where: short stacking energy: -260.486
Base-Backbone interact. energy: -1.844
local terms energy: -281.324893
where:
bonds (distance) C4'-P energy: -55.613
bonds (distance) P-C4' energy: -50.532
flat angles C4'-P-C4' energy: -54.563
flat angles P-C4'-P energy: -41.788
tors. eta vs tors. theta energy: -78.829
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: 278
Temperature: 1.000000
Total energy: -877.055269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.055269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.055269 (E_RNA)
where:
Base-Base interactions energy: -605.177
where: short stacking energy: -227.919
Base-Backbone interact. energy: -1.543
local terms energy: -270.336028
where:
bonds (distance) C4'-P energy: -48.165
bonds (distance) P-C4' energy: -47.700
flat angles C4'-P-C4' energy: -62.529
flat angles P-C4'-P energy: -41.965
tors. eta vs tors. theta energy: -69.978
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: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -870.901803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.901803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.901803 (E_RNA)
where:
Base-Base interactions energy: -603.487
where: short stacking energy: -245.434
Base-Backbone interact. energy: 3.372
local terms energy: -270.787201
where:
bonds (distance) C4'-P energy: -56.550
bonds (distance) P-C4' energy: -53.231
flat angles C4'-P-C4' energy: -50.723
flat angles P-C4'-P energy: -37.175
tors. eta vs tors. theta energy: -73.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -731.562986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.562986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.562986 (E_RNA)
where:
Base-Base interactions energy: -493.025
where: short stacking energy: -214.824
Base-Backbone interact. energy: 0.018
local terms energy: -238.556018
where:
bonds (distance) C4'-P energy: -49.314
bonds (distance) P-C4' energy: -41.669
flat angles C4'-P-C4' energy: -49.461
flat angles P-C4'-P energy: -36.207
tors. eta vs tors. theta energy: -61.905
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: 10
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -736.346545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.346545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.346545 (E_RNA)
where:
Base-Base interactions energy: -489.550
where: short stacking energy: -229.285
Base-Backbone interact. energy: -0.786
local terms energy: -246.010565
where:
bonds (distance) C4'-P energy: -44.470
bonds (distance) P-C4' energy: -48.232
flat angles C4'-P-C4' energy: -52.953
flat angles P-C4'-P energy: -36.797
tors. eta vs tors. theta energy: -63.559
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: 4
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -465.102728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.102728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.102728 (E_RNA)
where:
Base-Base interactions energy: -287.265
where: short stacking energy: -147.926
Base-Backbone interact. energy: 0.102
local terms energy: -177.939679
where:
bonds (distance) C4'-P energy: -37.712
bonds (distance) P-C4' energy: -47.861
flat angles C4'-P-C4' energy: -34.098
flat angles P-C4'-P energy: -30.298
tors. eta vs tors. theta energy: -27.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -442.528156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.528156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.528156 (E_RNA)
where:
Base-Base interactions energy: -252.585
where: short stacking energy: -143.020
Base-Backbone interact. energy: 0.900
local terms energy: -190.843402
where:
bonds (distance) C4'-P energy: -46.190
bonds (distance) P-C4' energy: -42.591
flat angles C4'-P-C4' energy: -46.978
flat angles P-C4'-P energy: -24.372
tors. eta vs tors. theta energy: -30.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -254.632023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.632023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.632023 (E_RNA)
where:
Base-Base interactions energy: -109.456
where: short stacking energy: -82.550
Base-Backbone interact. energy: -0.607
local terms energy: -144.569227
where:
bonds (distance) C4'-P energy: -41.981
bonds (distance) P-C4' energy: -44.354
flat angles C4'-P-C4' energy: -37.417
flat angles P-C4'-P energy: -27.563
tors. eta vs tors. theta energy: 6.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -224.424257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.424257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.424257 (E_RNA)
where:
Base-Base interactions energy: -56.401
where: short stacking energy: -47.635
Base-Backbone interact. energy: -0.528
local terms energy: -167.495163
where:
bonds (distance) C4'-P energy: -47.083
bonds (distance) P-C4' energy: -59.319
flat angles C4'-P-C4' energy: -43.467
flat angles P-C4'-P energy: -32.495
tors. eta vs tors. theta energy: 14.869
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: 1, replica: 5
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -935.053842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.053842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.053842 (E_RNA)
where:
Base-Base interactions energy: -641.915
where: short stacking energy: -269.374
Base-Backbone interact. energy: -0.939
local terms energy: -292.199389
where:
bonds (distance) C4'-P energy: -52.856
bonds (distance) P-C4' energy: -50.768
flat angles C4'-P-C4' energy: -59.234
flat angles P-C4'-P energy: -45.183
tors. eta vs tors. theta energy: -84.157
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: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -937.493225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.493225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.493225 (E_RNA)
where:
Base-Base interactions energy: -655.331
where: short stacking energy: -268.557
Base-Backbone interact. energy: -1.956
local terms energy: -280.206342
where:
bonds (distance) C4'-P energy: -56.753
bonds (distance) P-C4' energy: -52.808
flat angles C4'-P-C4' energy: -58.746
flat angles P-C4'-P energy: -36.715
tors. eta vs tors. theta energy: -75.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -897.163584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.163584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.163584 (E_RNA)
where:
Base-Base interactions energy: -620.353
where: short stacking energy: -250.531
Base-Backbone interact. energy: 0.643
local terms energy: -277.453291
where:
bonds (distance) C4'-P energy: -48.517
bonds (distance) P-C4' energy: -57.968
flat angles C4'-P-C4' energy: -59.748
flat angles P-C4'-P energy: -33.589
tors. eta vs tors. theta energy: -77.631
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: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -859.385936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.385936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.385936 (E_RNA)
where:
Base-Base interactions energy: -598.770
where: short stacking energy: -253.840
Base-Backbone interact. energy: -2.223
local terms energy: -258.392870
where:
bonds (distance) C4'-P energy: -43.612
bonds (distance) P-C4' energy: -43.678
flat angles C4'-P-C4' energy: -56.527
flat angles P-C4'-P energy: -42.998
tors. eta vs tors. theta energy: -71.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -767.205965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.205965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.205965 (E_RNA)
where:
Base-Base interactions energy: -511.811
where: short stacking energy: -223.794
Base-Backbone interact. energy: -0.919
local terms energy: -254.475552
where:
bonds (distance) C4'-P energy: -45.388
bonds (distance) P-C4' energy: -49.551
flat angles C4'-P-C4' energy: -58.413
flat angles P-C4'-P energy: -38.101
tors. eta vs tors. theta energy: -63.022
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: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -711.697739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.697739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.697739 (E_RNA)
where:
Base-Base interactions energy: -483.427
where: short stacking energy: -211.256
Base-Backbone interact. energy: -0.311
local terms energy: -227.960002
where:
bonds (distance) C4'-P energy: -51.128
bonds (distance) P-C4' energy: -37.651
flat angles C4'-P-C4' energy: -57.156
flat angles P-C4'-P energy: -33.594
tors. eta vs tors. theta energy: -48.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -471.234188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.234188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.234188 (E_RNA)
where:
Base-Base interactions energy: -269.022
where: short stacking energy: -149.533
Base-Backbone interact. energy: -0.923
local terms energy: -201.290056
where:
bonds (distance) C4'-P energy: -47.583
bonds (distance) P-C4' energy: -49.861
flat angles C4'-P-C4' energy: -36.765
flat angles P-C4'-P energy: -31.153
tors. eta vs tors. theta energy: -35.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -453.676512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.676512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.676512 (E_RNA)
where:
Base-Base interactions energy: -263.184
where: short stacking energy: -130.523
Base-Backbone interact. energy: -0.817
local terms energy: -189.675296
where:
bonds (distance) C4'-P energy: -50.783
bonds (distance) P-C4' energy: -39.537
flat angles C4'-P-C4' energy: -47.311
flat angles P-C4'-P energy: -27.771
tors. eta vs tors. theta energy: -24.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -322.383243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.383243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.383243 (E_RNA)
where:
Base-Base interactions energy: -157.542
where: short stacking energy: -83.336
Base-Backbone interact. energy: -0.018
local terms energy: -164.822987
where:
bonds (distance) C4'-P energy: -37.426
bonds (distance) P-C4' energy: -50.977
flat angles C4'-P-C4' energy: -36.212
flat angles P-C4'-P energy: -30.405
tors. eta vs tors. theta energy: -9.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -222.463183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.463183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.463183 (E_RNA)
where:
Base-Base interactions energy: -64.898
where: short stacking energy: -59.045
Base-Backbone interact. energy: -0.707
local terms energy: -156.857656
where:
bonds (distance) C4'-P energy: -51.938
bonds (distance) P-C4' energy: -46.501
flat angles C4'-P-C4' energy: -42.048
flat angles P-C4'-P energy: -25.127
tors. eta vs tors. theta energy: 8.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -960.599597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.599597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.599597 (E_RNA)
where:
Base-Base interactions energy: -654.702
where: short stacking energy: -278.502
Base-Backbone interact. energy: -2.231
local terms energy: -303.665774
where:
bonds (distance) C4'-P energy: -52.650
bonds (distance) P-C4' energy: -59.211
flat angles C4'-P-C4' energy: -64.901
flat angles P-C4'-P energy: -46.724
tors. eta vs tors. theta energy: -80.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -905.538237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.538237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.538237 (E_RNA)
where:
Base-Base interactions energy: -626.162
where: short stacking energy: -262.986
Base-Backbone interact. energy: 1.026
local terms energy: -280.402302
where:
bonds (distance) C4'-P energy: -52.925
bonds (distance) P-C4' energy: -41.020
flat angles C4'-P-C4' energy: -59.480
flat angles P-C4'-P energy: -45.514
tors. eta vs tors. theta energy: -81.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -892.157401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.157401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.157401 (E_RNA)
where:
Base-Base interactions energy: -623.654
where: short stacking energy: -240.067
Base-Backbone interact. energy: -1.624
local terms energy: -266.878798
where:
bonds (distance) C4'-P energy: -51.132
bonds (distance) P-C4' energy: -51.063
flat angles C4'-P-C4' energy: -62.444
flat angles P-C4'-P energy: -33.523
tors. eta vs tors. theta energy: -68.716
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: 280
Temperature: 1.050000
Total energy: -862.348850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.348850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.348850 (E_RNA)
where:
Base-Base interactions energy: -600.598
where: short stacking energy: -247.065
Base-Backbone interact. energy: -1.123
local terms energy: -260.627254
where:
bonds (distance) C4'-P energy: -40.318
bonds (distance) P-C4' energy: -44.559
flat angles C4'-P-C4' energy: -55.115
flat angles P-C4'-P energy: -43.019
tors. eta vs tors. theta energy: -77.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -762.281562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.281562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.281562 (E_RNA)
where:
Base-Base interactions energy: -531.127
where: short stacking energy: -231.178
Base-Backbone interact. energy: 0.364
local terms energy: -231.518846
where:
bonds (distance) C4'-P energy: -36.241
bonds (distance) P-C4' energy: -42.324
flat angles C4'-P-C4' energy: -57.190
flat angles P-C4'-P energy: -26.924
tors. eta vs tors. theta energy: -68.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -723.619963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.619963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.619963 (E_RNA)
where:
Base-Base interactions energy: -484.414
where: short stacking energy: -202.229
Base-Backbone interact. energy: -0.644
local terms energy: -238.561545
where:
bonds (distance) C4'-P energy: -49.270
bonds (distance) P-C4' energy: -51.238
flat angles C4'-P-C4' energy: -54.943
flat angles P-C4'-P energy: -25.153
tors. eta vs tors. theta energy: -57.957
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: 280
Temperature: 1.200000
Total energy: -471.113358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.113358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.113358 (E_RNA)
where:
Base-Base interactions energy: -284.717
where: short stacking energy: -137.795
Base-Backbone interact. energy: -0.554
local terms energy: -185.841794
where:
bonds (distance) C4'-P energy: -36.278
bonds (distance) P-C4' energy: -45.670
flat angles C4'-P-C4' energy: -46.463
flat angles P-C4'-P energy: -28.179
tors. eta vs tors. theta energy: -29.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -453.761092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.761092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.761092 (E_RNA)
where:
Base-Base interactions energy: -242.370
where: short stacking energy: -126.325
Base-Backbone interact. energy: -0.686
local terms energy: -210.705735
where:
bonds (distance) C4'-P energy: -50.065
bonds (distance) P-C4' energy: -53.866
flat angles C4'-P-C4' energy: -42.334
flat angles P-C4'-P energy: -28.699
tors. eta vs tors. theta energy: -35.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -315.200847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.200847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.200847 (E_RNA)
where:
Base-Base interactions energy: -157.985
where: short stacking energy: -97.823
Base-Backbone interact. energy: 0.489
local terms energy: -157.704333
where:
bonds (distance) C4'-P energy: -46.464
bonds (distance) P-C4' energy: -50.077
flat angles C4'-P-C4' energy: -34.182
flat angles P-C4'-P energy: -21.853
tors. eta vs tors. theta energy: -5.129
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: 280
Temperature: 1.350000
Total energy: -227.847634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.847634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.847634 (E_RNA)
where:
Base-Base interactions energy: -65.227
where: short stacking energy: -63.808
Base-Backbone interact. energy: 1.026
local terms energy: -163.646485
where:
bonds (distance) C4'-P energy: -46.413
bonds (distance) P-C4' energy: -53.987
flat angles C4'-P-C4' energy: -47.573
flat angles P-C4'-P energy: -19.654
tors. eta vs tors. theta energy: 3.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -974.292227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.292227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.292227 (E_RNA)
where:
Base-Base interactions energy: -672.252
where: short stacking energy: -297.360
Base-Backbone interact. energy: -1.685
local terms energy: -300.354873
where:
bonds (distance) C4'-P energy: -55.686
bonds (distance) P-C4' energy: -55.695
flat angles C4'-P-C4' energy: -59.349
flat angles P-C4'-P energy: -44.001
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: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -896.085256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.085256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.085256 (E_RNA)
where:
Base-Base interactions energy: -627.340
where: short stacking energy: -248.054
Base-Backbone interact. energy: -2.277
local terms energy: -266.468198
where:
bonds (distance) C4'-P energy: -52.881
bonds (distance) P-C4' energy: -48.405
flat angles C4'-P-C4' energy: -54.140
flat angles P-C4'-P energy: -42.022
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: 3, replica: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -871.208574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.208574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.208574 (E_RNA)
where:
Base-Base interactions energy: -596.270
where: short stacking energy: -245.806
Base-Backbone interact. energy: 0.810
local terms energy: -275.748958
where:
bonds (distance) C4'-P energy: -57.011
bonds (distance) P-C4' energy: -53.354
flat angles C4'-P-C4' energy: -49.977
flat angles P-C4'-P energy: -42.202
tors. eta vs tors. theta energy: -73.205
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: 1
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -881.118815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.118815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.118815 (E_RNA)
where:
Base-Base interactions energy: -616.196
where: short stacking energy: -249.544
Base-Backbone interact. energy: -0.326
local terms energy: -264.597530
where:
bonds (distance) C4'-P energy: -43.609
bonds (distance) P-C4' energy: -54.879
flat angles C4'-P-C4' energy: -55.765
flat angles P-C4'-P energy: -35.735
tors. eta vs tors. theta energy: -74.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -728.406453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.406453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.406453 (E_RNA)
where:
Base-Base interactions energy: -486.985
where: short stacking energy: -209.753
Base-Backbone interact. energy: -0.784
local terms energy: -240.637785
where:
bonds (distance) C4'-P energy: -48.741
bonds (distance) P-C4' energy: -44.109
flat angles C4'-P-C4' energy: -50.402
flat angles P-C4'-P energy: -31.898
tors. eta vs tors. theta energy: -65.487
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: 10
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -764.565587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.565587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.565587 (E_RNA)
where:
Base-Base interactions energy: -504.846
where: short stacking energy: -233.578
Base-Backbone interact. energy: -0.326
local terms energy: -259.393571
where:
bonds (distance) C4'-P energy: -51.858
bonds (distance) P-C4' energy: -54.089
flat angles C4'-P-C4' energy: -61.185
flat angles P-C4'-P energy: -32.306
tors. eta vs tors. theta energy: -59.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -488.858309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.858309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.858309 (E_RNA)
where:
Base-Base interactions energy: -277.239
where: short stacking energy: -139.401
Base-Backbone interact. energy: -1.386
local terms energy: -210.233808
where:
bonds (distance) C4'-P energy: -44.866
bonds (distance) P-C4' energy: -49.594
flat angles C4'-P-C4' energy: -51.216
flat angles P-C4'-P energy: -32.736
tors. eta vs tors. theta energy: -31.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -388.919969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.919969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.919969 (E_RNA)
where:
Base-Base interactions energy: -203.156
where: short stacking energy: -103.228
Base-Backbone interact. energy: -1.024
local terms energy: -184.739969
where:
bonds (distance) C4'-P energy: -43.237
bonds (distance) P-C4' energy: -55.101
flat angles C4'-P-C4' energy: -39.951
flat angles P-C4'-P energy: -29.053
tors. eta vs tors. theta energy: -17.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -304.423719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.423719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.423719 (E_RNA)
where:
Base-Base interactions energy: -148.424
where: short stacking energy: -101.707
Base-Backbone interact. energy: -0.576
local terms energy: -155.423687
where:
bonds (distance) C4'-P energy: -40.856
bonds (distance) P-C4' energy: -49.107
flat angles C4'-P-C4' energy: -28.466
flat angles P-C4'-P energy: -32.672
tors. eta vs tors. theta energy: -4.322
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: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -217.065823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.065823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.065823 (E_RNA)
where:
Base-Base interactions energy: -56.467
where: short stacking energy: -46.930
Base-Backbone interact. energy: -0.477
local terms energy: -160.121470
where:
bonds (distance) C4'-P energy: -39.781
bonds (distance) P-C4' energy: -51.335
flat angles C4'-P-C4' energy: -46.422
flat angles P-C4'-P energy: -33.440
tors. eta vs tors. theta energy: 10.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -976.460201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.460201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.460201 (E_RNA)
where:
Base-Base interactions energy: -674.073
where: short stacking energy: -288.747
Base-Backbone interact. energy: -2.369
local terms energy: -300.018478
where:
bonds (distance) C4'-P energy: -51.161
bonds (distance) P-C4' energy: -60.469
flat angles C4'-P-C4' energy: -67.609
flat angles P-C4'-P energy: -40.617
tors. eta vs tors. theta energy: -80.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -911.575768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.575768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.575768 (E_RNA)
where:
Base-Base interactions energy: -637.437
where: short stacking energy: -259.069
Base-Backbone interact. energy: 3.143
local terms energy: -277.282032
where:
bonds (distance) C4'-P energy: -48.507
bonds (distance) P-C4' energy: -48.516
flat angles C4'-P-C4' energy: -56.399
flat angles P-C4'-P energy: -46.445
tors. eta vs tors. theta energy: -77.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -886.664605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.664605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.664605 (E_RNA)
where:
Base-Base interactions energy: -611.583
where: short stacking energy: -246.259
Base-Backbone interact. energy: -0.077
local terms energy: -275.004805
where:
bonds (distance) C4'-P energy: -54.932
bonds (distance) P-C4' energy: -57.309
flat angles C4'-P-C4' energy: -52.859
flat angles P-C4'-P energy: -38.045
tors. eta vs tors. theta energy: -71.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -857.304056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.304056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.304056 (E_RNA)
where:
Base-Base interactions energy: -580.178
where: short stacking energy: -237.497
Base-Backbone interact. energy: -1.013
local terms energy: -276.113709
where:
bonds (distance) C4'-P energy: -56.313
bonds (distance) P-C4' energy: -53.841
flat angles C4'-P-C4' energy: -56.625
flat angles P-C4'-P energy: -39.752
tors. eta vs tors. theta energy: -69.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -793.450596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.450596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.450596 (E_RNA)
where:
Base-Base interactions energy: -545.922
where: short stacking energy: -233.986
Base-Backbone interact. energy: -0.445
local terms energy: -247.083280
where:
bonds (distance) C4'-P energy: -37.757
bonds (distance) P-C4' energy: -53.256
flat angles C4'-P-C4' energy: -54.060
flat angles P-C4'-P energy: -35.930
tors. eta vs tors. theta energy: -66.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -719.501113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.501113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.501113 (E_RNA)
where:
Base-Base interactions energy: -486.928
where: short stacking energy: -214.733
Base-Backbone interact. energy: -0.999
local terms energy: -231.574186
where:
bonds (distance) C4'-P energy: -38.409
bonds (distance) P-C4' energy: -47.570
flat angles C4'-P-C4' energy: -55.070
flat angles P-C4'-P energy: -31.400
tors. eta vs tors. theta energy: -59.125
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: 7, replica: 7
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -472.553895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.553895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.553895 (E_RNA)
where:
Base-Base interactions energy: -285.657
where: short stacking energy: -146.074
Base-Backbone interact. energy: -2.904
local terms energy: -183.992827
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -43.968
flat angles C4'-P-C4' energy: -52.732
flat angles P-C4'-P energy: -36.377
tors. eta vs tors. theta energy: -29.242
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: 4
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -436.810492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.810492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.810492 (E_RNA)
where:
Base-Base interactions energy: -236.843
where: short stacking energy: -126.891
Base-Backbone interact. energy: -0.468
local terms energy: -199.499375
where:
bonds (distance) C4'-P energy: -56.562
bonds (distance) P-C4' energy: -46.319
flat angles C4'-P-C4' energy: -53.030
flat angles P-C4'-P energy: -24.613
tors. eta vs tors. theta energy: -18.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -243.931073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.931073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.931073 (E_RNA)
where:
Base-Base interactions energy: -94.265
where: short stacking energy: -82.507
Base-Backbone interact. energy: -1.341
local terms energy: -148.325566
where:
bonds (distance) C4'-P energy: -45.197
bonds (distance) P-C4' energy: -46.047
flat angles C4'-P-C4' energy: -46.548
flat angles P-C4'-P energy: -9.660
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: 10, replica: 8
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -286.346407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.346407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.346407 (E_RNA)
where:
Base-Base interactions energy: -139.254
where: short stacking energy: -80.113
Base-Backbone interact. energy: 0.968
local terms energy: -148.060763
where:
bonds (distance) C4'-P energy: -44.464
bonds (distance) P-C4' energy: -47.057
flat angles C4'-P-C4' energy: -43.741
flat angles P-C4'-P energy: -17.543
tors. eta vs tors. theta energy: 4.744
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: 3
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -955.529527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.529527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.529527 (E_RNA)
where:
Base-Base interactions energy: -653.172
where: short stacking energy: -265.772
Base-Backbone interact. energy: -0.946
local terms energy: -301.411789
where:
bonds (distance) C4'-P energy: -56.549
bonds (distance) P-C4' energy: -59.848
flat angles C4'-P-C4' energy: -60.985
flat angles P-C4'-P energy: -45.278
tors. eta vs tors. theta energy: -78.751
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: 5
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -899.643622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.643622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.643622 (E_RNA)
where:
Base-Base interactions energy: -617.387
where: short stacking energy: -253.017
Base-Backbone interact. energy: -1.181
local terms energy: -281.076064
where:
bonds (distance) C4'-P energy: -53.777
bonds (distance) P-C4' energy: -56.138
flat angles C4'-P-C4' energy: -58.344
flat angles P-C4'-P energy: -37.938
tors. eta vs tors. theta energy: -74.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -865.885573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.885573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.885573 (E_RNA)
where:
Base-Base interactions energy: -617.451
where: short stacking energy: -228.736
Base-Backbone interact. energy: -2.836
local terms energy: -245.599045
where:
bonds (distance) C4'-P energy: -44.393
bonds (distance) P-C4' energy: -46.297
flat angles C4'-P-C4' energy: -54.222
flat angles P-C4'-P energy: -33.719
tors. eta vs tors. theta energy: -66.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -864.019463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.019463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.019463 (E_RNA)
where:
Base-Base interactions energy: -605.615
where: short stacking energy: -249.032
Base-Backbone interact. energy: -1.064
local terms energy: -257.340911
where:
bonds (distance) C4'-P energy: -44.979
bonds (distance) P-C4' energy: -47.026
flat angles C4'-P-C4' energy: -58.492
flat angles P-C4'-P energy: -34.510
tors. eta vs tors. theta energy: -72.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -783.305130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.305130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.305130 (E_RNA)
where:
Base-Base interactions energy: -547.022
where: short stacking energy: -247.992
Base-Backbone interact. energy: -0.219
local terms energy: -236.064090
where:
bonds (distance) C4'-P energy: -42.323
bonds (distance) P-C4' energy: -48.403
flat angles C4'-P-C4' energy: -47.412
flat angles P-C4'-P energy: -30.330
tors. eta vs tors. theta energy: -67.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -734.422546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.422546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.422546 (E_RNA)
where:
Base-Base interactions energy: -477.787
where: short stacking energy: -222.895
Base-Backbone interact. energy: -0.379
local terms energy: -256.256812
where:
bonds (distance) C4'-P energy: -44.765
bonds (distance) P-C4' energy: -51.445
flat angles C4'-P-C4' energy: -52.790
flat angles P-C4'-P energy: -37.448
tors. eta vs tors. theta energy: -69.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -465.230884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.230884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.230884 (E_RNA)
where:
Base-Base interactions energy: -273.495
where: short stacking energy: -134.919
Base-Backbone interact. energy: 1.772
local terms energy: -193.508130
where:
bonds (distance) C4'-P energy: -56.870
bonds (distance) P-C4' energy: -47.378
flat angles C4'-P-C4' energy: -39.908
flat angles P-C4'-P energy: -36.281
tors. eta vs tors. theta energy: -13.071
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: 8, replica: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -465.657759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.657759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.657759 (E_RNA)
where:
Base-Base interactions energy: -267.882
where: short stacking energy: -121.695
Base-Backbone interact. energy: 1.714
local terms energy: -199.489028
where:
bonds (distance) C4'-P energy: -54.506
bonds (distance) P-C4' energy: -49.292
flat angles C4'-P-C4' energy: -46.091
flat angles P-C4'-P energy: -36.288
tors. eta vs tors. theta energy: -13.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -273.159140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.159140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.159140 (E_RNA)
where:
Base-Base interactions energy: -121.110
where: short stacking energy: -67.925
Base-Backbone interact. energy: 1.470
local terms energy: -153.519252
where:
bonds (distance) C4'-P energy: -43.355
bonds (distance) P-C4' energy: -39.058
flat angles C4'-P-C4' energy: -49.246
flat angles P-C4'-P energy: -30.471
tors. eta vs tors. theta energy: 8.611
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: 8
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -285.620452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.620452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.620452 (E_RNA)
where:
Base-Base interactions energy: -153.328
where: short stacking energy: -93.584
Base-Backbone interact. energy: 0.473
local terms energy: -132.766191
where:
bonds (distance) C4'-P energy: -30.447
bonds (distance) P-C4' energy: -49.020
flat angles C4'-P-C4' energy: -23.044
flat angles P-C4'-P energy: -29.060
tors. eta vs tors. theta energy: -1.195
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: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -962.725062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.725062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.725062 (E_RNA)
where:
Base-Base interactions energy: -680.324
where: short stacking energy: -293.986
Base-Backbone interact. energy: -1.536
local terms energy: -280.865710
where:
bonds (distance) C4'-P energy: -49.255
bonds (distance) P-C4' energy: -51.420
flat angles C4'-P-C4' energy: -57.710
flat angles P-C4'-P energy: -40.480
tors. eta vs tors. theta energy: -82.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -899.789193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.789193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.789193 (E_RNA)
where:
Base-Base interactions energy: -618.557
where: short stacking energy: -277.249
Base-Backbone interact. energy: -1.738
local terms energy: -279.494394
where:
bonds (distance) C4'-P energy: -49.605
bonds (distance) P-C4' energy: -55.663
flat angles C4'-P-C4' energy: -60.927
flat angles P-C4'-P energy: -33.372
tors. eta vs tors. theta energy: -79.927
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: 3, replica: 2
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -875.397369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.397369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.397369 (E_RNA)
where:
Base-Base interactions energy: -610.749
where: short stacking energy: -229.042
Base-Backbone interact. energy: -1.388
local terms energy: -263.260767
where:
bonds (distance) C4'-P energy: -48.437
bonds (distance) P-C4' energy: -52.642
flat angles C4'-P-C4' energy: -56.300
flat angles P-C4'-P energy: -37.833
tors. eta vs tors. theta energy: -68.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -854.335602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.335602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.335602 (E_RNA)
where:
Base-Base interactions energy: -588.254
where: short stacking energy: -254.586
Base-Backbone interact. energy: -1.291
local terms energy: -264.790221
where:
bonds (distance) C4'-P energy: -47.635
bonds (distance) P-C4' energy: -53.989
flat angles C4'-P-C4' energy: -50.878
flat angles P-C4'-P energy: -41.091
tors. eta vs tors. theta energy: -71.198
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: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -778.398723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.398723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.398723 (E_RNA)
where:
Base-Base interactions energy: -514.389
where: short stacking energy: -233.572
Base-Backbone interact. energy: 0.963
local terms energy: -264.972646
where:
bonds (distance) C4'-P energy: -49.620
bonds (distance) P-C4' energy: -47.800
flat angles C4'-P-C4' energy: -54.588
flat angles P-C4'-P energy: -36.328
tors. eta vs tors. theta energy: -76.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -736.875862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.875862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.875862 (E_RNA)
where:
Base-Base interactions energy: -499.828
where: short stacking energy: -214.992
Base-Backbone interact. energy: -2.695
local terms energy: -234.353118
where:
bonds (distance) C4'-P energy: -53.451
bonds (distance) P-C4' energy: -39.140
flat angles C4'-P-C4' energy: -50.344
flat angles P-C4'-P energy: -28.897
tors. eta vs tors. theta energy: -62.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -443.586506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.586506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.586506 (E_RNA)
where:
Base-Base interactions energy: -273.896
where: short stacking energy: -137.937
Base-Backbone interact. energy: -1.428
local terms energy: -168.262574
where:
bonds (distance) C4'-P energy: -44.239
bonds (distance) P-C4' energy: -37.458
flat angles C4'-P-C4' energy: -44.529
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -450.915689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.915689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.915689 (E_RNA)
where:
Base-Base interactions energy: -256.222
where: short stacking energy: -128.300
Base-Backbone interact. energy: -1.689
local terms energy: -193.004401
where:
bonds (distance) C4'-P energy: -42.483
bonds (distance) P-C4' energy: -45.949
flat angles C4'-P-C4' energy: -36.668
flat angles P-C4'-P energy: -34.851
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: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -298.911151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.911151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.911151 (E_RNA)
where:
Base-Base interactions energy: -159.209
where: short stacking energy: -92.327
Base-Backbone interact. energy: 2.437
local terms energy: -142.139535
where:
bonds (distance) C4'-P energy: -48.060
bonds (distance) P-C4' energy: -37.992
flat angles C4'-P-C4' energy: -31.632
flat angles P-C4'-P energy: -25.084
tors. eta vs tors. theta energy: 0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -280.894817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.894817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.894817 (E_RNA)
where:
Base-Base interactions energy: -116.371
where: short stacking energy: -75.603
Base-Backbone interact. energy: 0.175
local terms energy: -164.698730
where:
bonds (distance) C4'-P energy: -37.286
bonds (distance) P-C4' energy: -44.008
flat angles C4'-P-C4' energy: -48.452
flat angles P-C4'-P energy: -33.642
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -962.687935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.687935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.687935 (E_RNA)
where:
Base-Base interactions energy: -664.277
where: short stacking energy: -274.938
Base-Backbone interact. energy: 1.314
local terms energy: -299.724933
where:
bonds (distance) C4'-P energy: -54.935
bonds (distance) P-C4' energy: -52.514
flat angles C4'-P-C4' energy: -61.128
flat angles P-C4'-P energy: -51.247
tors. eta vs tors. theta energy: -79.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -922.793085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.793085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.793085 (E_RNA)
where:
Base-Base interactions energy: -650.573
where: short stacking energy: -267.252
Base-Backbone interact. energy: 2.516
local terms energy: -274.736360
where:
bonds (distance) C4'-P energy: -51.230
bonds (distance) P-C4' energy: -52.951
flat angles C4'-P-C4' energy: -56.092
flat angles P-C4'-P energy: -36.901
tors. eta vs tors. theta energy: -77.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -885.562734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.562734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.562734 (E_RNA)
where:
Base-Base interactions energy: -627.840
where: short stacking energy: -245.210
Base-Backbone interact. energy: -2.348
local terms energy: -255.374261
where:
bonds (distance) C4'-P energy: -38.828
bonds (distance) P-C4' energy: -50.447
flat angles C4'-P-C4' energy: -55.713
flat angles P-C4'-P energy: -39.661
tors. eta vs tors. theta energy: -70.725
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: 1
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -861.566591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.566591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.566591 (E_RNA)
where:
Base-Base interactions energy: -614.860
where: short stacking energy: -265.740
Base-Backbone interact. energy: -0.942
local terms energy: -245.764168
where:
bonds (distance) C4'-P energy: -45.685
bonds (distance) P-C4' energy: -40.235
flat angles C4'-P-C4' energy: -48.064
flat angles P-C4'-P energy: -37.367
tors. eta vs tors. theta energy: -74.413
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: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -799.222098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.222098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.222098 (E_RNA)
where:
Base-Base interactions energy: -540.599
where: short stacking energy: -247.587
Base-Backbone interact. energy: -1.096
local terms energy: -257.527236
where:
bonds (distance) C4'-P energy: -45.672
bonds (distance) P-C4' energy: -50.525
flat angles C4'-P-C4' energy: -61.228
flat angles P-C4'-P energy: -33.121
tors. eta vs tors. theta energy: -66.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -740.650389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.650389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.650389 (E_RNA)
where:
Base-Base interactions energy: -498.927
where: short stacking energy: -225.265
Base-Backbone interact. energy: 3.370
local terms energy: -245.093470
where:
bonds (distance) C4'-P energy: -46.065
bonds (distance) P-C4' energy: -54.251
flat angles C4'-P-C4' energy: -52.984
flat angles P-C4'-P energy: -31.198
tors. eta vs tors. theta energy: -60.596
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: 7, replica: 4
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -461.101272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.101272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.101272 (E_RNA)
where:
Base-Base interactions energy: -261.118
where: short stacking energy: -141.574
Base-Backbone interact. energy: -0.940
local terms energy: -199.043295
where:
bonds (distance) C4'-P energy: -45.212
bonds (distance) P-C4' energy: -44.214
flat angles C4'-P-C4' energy: -49.658
flat angles P-C4'-P energy: -35.965
tors. eta vs tors. theta energy: -23.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -453.764890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.764890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.764890 (E_RNA)
where:
Base-Base interactions energy: -271.832
where: short stacking energy: -144.963
Base-Backbone interact. energy: 1.544
local terms energy: -183.477322
where:
bonds (distance) C4'-P energy: -41.069
bonds (distance) P-C4' energy: -47.698
flat angles C4'-P-C4' energy: -38.390
flat angles P-C4'-P energy: -31.227
tors. eta vs tors. theta energy: -25.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -315.928138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.928138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.928138 (E_RNA)
where:
Base-Base interactions energy: -137.957
where: short stacking energy: -77.843
Base-Backbone interact. energy: 0.797
local terms energy: -178.768408
where:
bonds (distance) C4'-P energy: -55.086
bonds (distance) P-C4' energy: -44.122
flat angles C4'-P-C4' energy: -49.233
flat angles P-C4'-P energy: -22.693
tors. eta vs tors. theta energy: -7.634
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: 285
Temperature: 1.350000
Total energy: -275.571319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.571319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.571319 (E_RNA)
where:
Base-Base interactions energy: -123.863
where: short stacking energy: -83.804
Base-Backbone interact. energy: 0.896
local terms energy: -152.604451
where:
bonds (distance) C4'-P energy: -34.441
bonds (distance) P-C4' energy: -50.651
flat angles C4'-P-C4' energy: -34.041
flat angles P-C4'-P energy: -30.154
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -944.229960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.229960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.229960 (E_RNA)
where:
Base-Base interactions energy: -661.955
where: short stacking energy: -263.275
Base-Backbone interact. energy: 0.442
local terms energy: -282.716854
where:
bonds (distance) C4'-P energy: -54.598
bonds (distance) P-C4' energy: -46.347
flat angles C4'-P-C4' energy: -61.365
flat angles P-C4'-P energy: -42.303
tors. eta vs tors. theta energy: -78.104
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: 5
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -901.519499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.519499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.519499 (E_RNA)
where:
Base-Base interactions energy: -648.144
where: short stacking energy: -264.351
Base-Backbone interact. energy: 3.015
local terms energy: -256.389907
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -48.714
flat angles C4'-P-C4' energy: -56.738
flat angles P-C4'-P energy: -34.462
tors. eta vs tors. theta energy: -65.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -886.937853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.937853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.937853 (E_RNA)
where:
Base-Base interactions energy: -623.158
where: short stacking energy: -238.180
Base-Backbone interact. energy: -1.322
local terms energy: -262.457812
where:
bonds (distance) C4'-P energy: -44.752
bonds (distance) P-C4' energy: -55.954
flat angles C4'-P-C4' energy: -56.959
flat angles P-C4'-P energy: -35.291
tors. eta vs tors. theta energy: -69.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -846.249537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.249537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.249537 (E_RNA)
where:
Base-Base interactions energy: -586.003
where: short stacking energy: -236.442
Base-Backbone interact. energy: 1.427
local terms energy: -261.672933
where:
bonds (distance) C4'-P energy: -52.139
bonds (distance) P-C4' energy: -47.922
flat angles C4'-P-C4' energy: -55.442
flat angles P-C4'-P energy: -38.270
tors. eta vs tors. theta energy: -67.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -778.371838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.371838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.371838 (E_RNA)
where:
Base-Base interactions energy: -533.110
where: short stacking energy: -226.167
Base-Backbone interact. energy: -0.448
local terms energy: -244.814153
where:
bonds (distance) C4'-P energy: -48.848
bonds (distance) P-C4' energy: -43.455
flat angles C4'-P-C4' energy: -60.123
flat angles P-C4'-P energy: -26.162
tors. eta vs tors. theta energy: -66.227
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: 286
Temperature: 1.150000
Total energy: -765.325343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.325343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.325343 (E_RNA)
where:
Base-Base interactions energy: -515.539
where: short stacking energy: -222.428
Base-Backbone interact. energy: 1.349
local terms energy: -251.135555
where:
bonds (distance) C4'-P energy: -45.095
bonds (distance) P-C4' energy: -42.950
flat angles C4'-P-C4' energy: -59.730
flat angles P-C4'-P energy: -38.767
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: 7, replica: 7
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -489.524239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.524239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.524239 (E_RNA)
where:
Base-Base interactions energy: -294.762
where: short stacking energy: -148.538
Base-Backbone interact. energy: 0.103
local terms energy: -194.865374
where:
bonds (distance) C4'-P energy: -39.221
bonds (distance) P-C4' energy: -46.746
flat angles C4'-P-C4' energy: -47.732
flat angles P-C4'-P energy: -27.330
tors. eta vs tors. theta energy: -33.836
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: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -463.658393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.658393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.658393 (E_RNA)
where:
Base-Base interactions energy: -260.665
where: short stacking energy: -142.475
Base-Backbone interact. energy: -0.538
local terms energy: -202.455489
where:
bonds (distance) C4'-P energy: -39.032
bonds (distance) P-C4' energy: -45.075
flat angles C4'-P-C4' energy: -46.530
flat angles P-C4'-P energy: -36.489
tors. eta vs tors. theta energy: -35.329
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: 286
Temperature: 1.300000
Total energy: -251.086107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.086107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.086107 (E_RNA)
where:
Base-Base interactions energy: -94.748
where: short stacking energy: -86.800
Base-Backbone interact. energy: -0.721
local terms energy: -155.617295
where:
bonds (distance) C4'-P energy: -43.391
bonds (distance) P-C4' energy: -43.422
flat angles C4'-P-C4' energy: -33.520
flat angles P-C4'-P energy: -23.530
tors. eta vs tors. theta energy: -11.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -265.560131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.560131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.560131 (E_RNA)
where:
Base-Base interactions energy: -111.128
where: short stacking energy: -74.711
Base-Backbone interact. energy: 2.220
local terms energy: -156.652804
where:
bonds (distance) C4'-P energy: -49.838
bonds (distance) P-C4' energy: -34.175
flat angles C4'-P-C4' energy: -44.008
flat angles P-C4'-P energy: -25.217
tors. eta vs tors. theta energy: -3.415
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: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -958.324100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.324100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.324100 (E_RNA)
where:
Base-Base interactions energy: -673.979
where: short stacking energy: -278.087
Base-Backbone interact. energy: -2.110
local terms energy: -282.235077
where:
bonds (distance) C4'-P energy: -50.851
bonds (distance) P-C4' energy: -49.424
flat angles C4'-P-C4' energy: -62.018
flat angles P-C4'-P energy: -44.504
tors. eta vs tors. theta energy: -75.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -911.576030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.576030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.576030 (E_RNA)
where:
Base-Base interactions energy: -638.074
where: short stacking energy: -254.661
Base-Backbone interact. energy: -1.338
local terms energy: -272.164075
where:
bonds (distance) C4'-P energy: -51.954
bonds (distance) P-C4' energy: -51.453
flat angles C4'-P-C4' energy: -57.447
flat angles P-C4'-P energy: -42.112
tors. eta vs tors. theta energy: -69.198
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: 287
Temperature: 1.000000
Total energy: -884.640307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.640307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.640307 (E_RNA)
where:
Base-Base interactions energy: -616.109
where: short stacking energy: -249.736
Base-Backbone interact. energy: -1.586
local terms energy: -266.945520
where:
bonds (distance) C4'-P energy: -53.368
bonds (distance) P-C4' energy: -48.484
flat angles C4'-P-C4' energy: -54.862
flat angles P-C4'-P energy: -37.543
tors. eta vs tors. theta energy: -72.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -814.157901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.157901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.157901 (E_RNA)
where:
Base-Base interactions energy: -543.320
where: short stacking energy: -243.812
Base-Backbone interact. energy: 0.251
local terms energy: -271.088994
where:
bonds (distance) C4'-P energy: -54.436
bonds (distance) P-C4' energy: -46.497
flat angles C4'-P-C4' energy: -56.591
flat angles P-C4'-P energy: -42.450
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: 1
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -859.521668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.521668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.521668 (E_RNA)
where:
Base-Base interactions energy: -603.519
where: short stacking energy: -268.067
Base-Backbone interact. energy: 4.764
local terms energy: -260.766697
where:
bonds (distance) C4'-P energy: -41.572
bonds (distance) P-C4' energy: -42.717
flat angles C4'-P-C4' energy: -60.873
flat angles P-C4'-P energy: -39.004
tors. eta vs tors. theta energy: -76.601
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: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -750.837701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.837701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.837701 (E_RNA)
where:
Base-Base interactions energy: -496.482
where: short stacking energy: -218.119
Base-Backbone interact. energy: 0.867
local terms energy: -255.223403
where:
bonds (distance) C4'-P energy: -48.864
bonds (distance) P-C4' energy: -50.441
flat angles C4'-P-C4' energy: -58.177
flat angles P-C4'-P energy: -34.615
tors. eta vs tors. theta energy: -63.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -511.130189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.130189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.130189 (E_RNA)
where:
Base-Base interactions energy: -296.358
where: short stacking energy: -146.488
Base-Backbone interact. energy: -0.689
local terms energy: -214.083131
where:
bonds (distance) C4'-P energy: -43.098
bonds (distance) P-C4' energy: -58.362
flat angles C4'-P-C4' energy: -49.337
flat angles P-C4'-P energy: -29.925
tors. eta vs tors. theta energy: -33.361
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: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -447.289712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.289712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.289712 (E_RNA)
where:
Base-Base interactions energy: -263.917
where: short stacking energy: -126.432
Base-Backbone interact. energy: 1.474
local terms energy: -184.846075
where:
bonds (distance) C4'-P energy: -51.293
bonds (distance) P-C4' energy: -49.513
flat angles C4'-P-C4' energy: -35.032
flat angles P-C4'-P energy: -25.006
tors. eta vs tors. theta energy: -24.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -250.402198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.402198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.402198 (E_RNA)
where:
Base-Base interactions energy: -101.054
where: short stacking energy: -60.582
Base-Backbone interact. energy: -1.076
local terms energy: -148.271471
where:
bonds (distance) C4'-P energy: -50.889
bonds (distance) P-C4' energy: -47.621
flat angles C4'-P-C4' energy: -33.585
flat angles P-C4'-P energy: -25.340
tors. eta vs tors. theta energy: 9.164
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: 287
Temperature: 1.350000
Total energy: -228.800272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.800272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.800272 (E_RNA)
where:
Base-Base interactions energy: -92.710
where: short stacking energy: -87.896
Base-Backbone interact. energy: -1.265
local terms energy: -134.825421
where:
bonds (distance) C4'-P energy: -41.218
bonds (distance) P-C4' energy: -42.604
flat angles C4'-P-C4' energy: -30.550
flat angles P-C4'-P energy: -26.367
tors. eta vs tors. theta energy: 5.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -932.841496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.841496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.841496 (E_RNA)
where:
Base-Base interactions energy: -639.129
where: short stacking energy: -261.926
Base-Backbone interact. energy: -0.906
local terms energy: -292.806873
where:
bonds (distance) C4'-P energy: -55.503
bonds (distance) P-C4' energy: -49.601
flat angles C4'-P-C4' energy: -68.917
flat angles P-C4'-P energy: -38.984
tors. eta vs tors. theta energy: -79.801
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: 2, replica: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -911.932279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.932279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.932279 (E_RNA)
where:
Base-Base interactions energy: -619.202
where: short stacking energy: -263.549
Base-Backbone interact. energy: 0.522
local terms energy: -293.252335
where:
bonds (distance) C4'-P energy: -52.633
bonds (distance) P-C4' energy: -53.087
flat angles C4'-P-C4' energy: -63.576
flat angles P-C4'-P energy: -44.362
tors. eta vs tors. theta energy: -79.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -878.816221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.816221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.816221 (E_RNA)
where:
Base-Base interactions energy: -608.332
where: short stacking energy: -239.861
Base-Backbone interact. energy: -1.884
local terms energy: -268.599934
where:
bonds (distance) C4'-P energy: -50.674
bonds (distance) P-C4' energy: -54.636
flat angles C4'-P-C4' energy: -54.876
flat angles P-C4'-P energy: -40.663
tors. eta vs tors. theta energy: -67.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -790.718297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.718297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.718297 (E_RNA)
where:
Base-Base interactions energy: -536.134
where: short stacking energy: -254.369
Base-Backbone interact. energy: -1.350
local terms energy: -253.233985
where:
bonds (distance) C4'-P energy: -54.933
bonds (distance) P-C4' energy: -41.443
flat angles C4'-P-C4' energy: -51.304
flat angles P-C4'-P energy: -31.465
tors. eta vs tors. theta energy: -74.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -811.410934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.410934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.410934 (E_RNA)
where:
Base-Base interactions energy: -543.037
where: short stacking energy: -220.200
Base-Backbone interact. energy: -1.445
local terms energy: -266.928696
where:
bonds (distance) C4'-P energy: -58.040
bonds (distance) P-C4' energy: -52.979
flat angles C4'-P-C4' energy: -52.406
flat angles P-C4'-P energy: -36.215
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: 6, replica: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -717.486290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.486290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.486290 (E_RNA)
where:
Base-Base interactions energy: -482.857
where: short stacking energy: -212.451
Base-Backbone interact. energy: -1.802
local terms energy: -232.826670
where:
bonds (distance) C4'-P energy: -46.222
bonds (distance) P-C4' energy: -36.670
flat angles C4'-P-C4' energy: -51.723
flat angles P-C4'-P energy: -36.178
tors. eta vs tors. theta energy: -62.033
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: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -468.404660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.404660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.404660 (E_RNA)
where:
Base-Base interactions energy: -253.092
where: short stacking energy: -131.298
Base-Backbone interact. energy: -0.997
local terms energy: -214.315309
where:
bonds (distance) C4'-P energy: -50.454
bonds (distance) P-C4' energy: -49.163
flat angles C4'-P-C4' energy: -47.844
flat angles P-C4'-P energy: -37.322
tors. eta vs tors. theta energy: -29.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -434.667654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.667654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.667654 (E_RNA)
where:
Base-Base interactions energy: -256.258
where: short stacking energy: -139.315
Base-Backbone interact. energy: -0.109
local terms energy: -178.300155
where:
bonds (distance) C4'-P energy: -46.714
bonds (distance) P-C4' energy: -56.522
flat angles C4'-P-C4' energy: -43.304
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -18.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -236.995964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.995964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.995964 (E_RNA)
where:
Base-Base interactions energy: -81.639
where: short stacking energy: -75.615
Base-Backbone interact. energy: -0.963
local terms energy: -154.393904
where:
bonds (distance) C4'-P energy: -43.217
bonds (distance) P-C4' energy: -49.680
flat angles C4'-P-C4' energy: -30.305
flat angles P-C4'-P energy: -28.300
tors. eta vs tors. theta energy: -2.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -226.115314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.115314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.115314 (E_RNA)
where:
Base-Base interactions energy: -75.001
where: short stacking energy: -74.106
Base-Backbone interact. energy: 0.454
local terms energy: -151.567750
where:
bonds (distance) C4'-P energy: -49.127
bonds (distance) P-C4' energy: -42.133
flat angles C4'-P-C4' energy: -32.286
flat angles P-C4'-P energy: -32.355
tors. eta vs tors. theta energy: 4.332
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: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -954.381101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.381101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.381101 (E_RNA)
where:
Base-Base interactions energy: -663.687
where: short stacking energy: -274.216
Base-Backbone interact. energy: -2.142
local terms energy: -288.552518
where:
bonds (distance) C4'-P energy: -57.637
bonds (distance) P-C4' energy: -56.121
flat angles C4'-P-C4' energy: -57.709
flat angles P-C4'-P energy: -36.591
tors. eta vs tors. theta energy: -80.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -902.460733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.460733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.460733 (E_RNA)
where:
Base-Base interactions energy: -622.308
where: short stacking energy: -250.832
Base-Backbone interact. energy: 1.605
local terms energy: -281.757795
where:
bonds (distance) C4'-P energy: -49.753
bonds (distance) P-C4' energy: -56.579
flat angles C4'-P-C4' energy: -58.106
flat angles P-C4'-P energy: -44.624
tors. eta vs tors. theta energy: -72.695
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: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -885.763174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.763174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.763174 (E_RNA)
where:
Base-Base interactions energy: -611.191
where: short stacking energy: -234.271
Base-Backbone interact. energy: -0.874
local terms energy: -273.697954
where:
bonds (distance) C4'-P energy: -46.712
bonds (distance) P-C4' energy: -55.459
flat angles C4'-P-C4' energy: -53.450
flat angles P-C4'-P energy: -41.894
tors. eta vs tors. theta energy: -76.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -842.637883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.637883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.637883 (E_RNA)
where:
Base-Base interactions energy: -593.939
where: short stacking energy: -236.893
Base-Backbone interact. energy: -1.173
local terms energy: -247.526231
where:
bonds (distance) C4'-P energy: -43.672
bonds (distance) P-C4' energy: -36.824
flat angles C4'-P-C4' energy: -60.032
flat angles P-C4'-P energy: -34.817
tors. eta vs tors. theta energy: -72.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -784.594390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.594390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.594390 (E_RNA)
where:
Base-Base interactions energy: -537.814
where: short stacking energy: -227.122
Base-Backbone interact. energy: -0.500
local terms energy: -246.280209
where:
bonds (distance) C4'-P energy: -51.671
bonds (distance) P-C4' energy: -43.997
flat angles C4'-P-C4' energy: -56.371
flat angles P-C4'-P energy: -33.003
tors. eta vs tors. theta energy: -61.239
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: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -731.552407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.552407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.552407 (E_RNA)
where:
Base-Base interactions energy: -477.191
where: short stacking energy: -200.642
Base-Backbone interact. energy: -0.452
local terms energy: -253.909536
where:
bonds (distance) C4'-P energy: -46.172
bonds (distance) P-C4' energy: -53.520
flat angles C4'-P-C4' energy: -55.140
flat angles P-C4'-P energy: -36.733
tors. eta vs tors. theta energy: -62.344
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: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -410.535847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.535847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.535847 (E_RNA)
where:
Base-Base interactions energy: -211.159
where: short stacking energy: -113.863
Base-Backbone interact. energy: -0.940
local terms energy: -198.436643
where:
bonds (distance) C4'-P energy: -52.064
bonds (distance) P-C4' energy: -49.123
flat angles C4'-P-C4' energy: -48.507
flat angles P-C4'-P energy: -33.952
tors. eta vs tors. theta energy: -14.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -453.371402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.371402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.371402 (E_RNA)
where:
Base-Base interactions energy: -242.494
where: short stacking energy: -128.253
Base-Backbone interact. energy: -0.476
local terms energy: -210.401268
where:
bonds (distance) C4'-P energy: -50.326
bonds (distance) P-C4' energy: -48.775
flat angles C4'-P-C4' energy: -53.745
flat angles P-C4'-P energy: -35.442
tors. eta vs tors. theta energy: -22.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -288.024050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.024050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.024050 (E_RNA)
where:
Base-Base interactions energy: -150.383
where: short stacking energy: -84.481
Base-Backbone interact. energy: -0.494
local terms energy: -137.147313
where:
bonds (distance) C4'-P energy: -33.216
bonds (distance) P-C4' energy: -44.337
flat angles C4'-P-C4' energy: -27.990
flat angles P-C4'-P energy: -25.712
tors. eta vs tors. theta energy: -5.893
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: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -241.385731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.385731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.385731 (E_RNA)
where:
Base-Base interactions energy: -96.159
where: short stacking energy: -89.667
Base-Backbone interact. energy: -0.938
local terms energy: -144.288055
where:
bonds (distance) C4'-P energy: -26.163
bonds (distance) P-C4' energy: -46.966
flat angles C4'-P-C4' energy: -36.857
flat angles P-C4'-P energy: -24.925
tors. eta vs tors. theta energy: -9.378
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: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -945.300021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.300021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.300021 (E_RNA)
where:
Base-Base interactions energy: -659.113
where: short stacking energy: -266.617
Base-Backbone interact. energy: -1.942
local terms energy: -284.244376
where:
bonds (distance) C4'-P energy: -51.569
bonds (distance) P-C4' energy: -56.369
flat angles C4'-P-C4' energy: -61.982
flat angles P-C4'-P energy: -39.115
tors. eta vs tors. theta energy: -75.208
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: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -886.580003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.580003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.580003 (E_RNA)
where:
Base-Base interactions energy: -624.642
where: short stacking energy: -238.384
Base-Backbone interact. energy: -0.804
local terms energy: -261.134385
where:
bonds (distance) C4'-P energy: -47.900
bonds (distance) P-C4' energy: -51.652
flat angles C4'-P-C4' energy: -56.840
flat angles P-C4'-P energy: -37.041
tors. eta vs tors. theta energy: -67.701
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: 3, replica: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -889.210036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.210036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.210036 (E_RNA)
where:
Base-Base interactions energy: -610.961
where: short stacking energy: -262.132
Base-Backbone interact. energy: -1.731
local terms energy: -276.517267
where:
bonds (distance) C4'-P energy: -51.673
bonds (distance) P-C4' energy: -44.688
flat angles C4'-P-C4' energy: -54.961
flat angles P-C4'-P energy: -41.264
tors. eta vs tors. theta energy: -83.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -880.130617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.130617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.130617 (E_RNA)
where:
Base-Base interactions energy: -615.678
where: short stacking energy: -251.653
Base-Backbone interact. energy: -0.471
local terms energy: -263.981260
where:
bonds (distance) C4'-P energy: -43.127
bonds (distance) P-C4' energy: -44.555
flat angles C4'-P-C4' energy: -57.620
flat angles P-C4'-P energy: -42.798
tors. eta vs tors. theta energy: -75.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -773.041852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.041852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.041852 (E_RNA)
where:
Base-Base interactions energy: -518.139
where: short stacking energy: -228.064
Base-Backbone interact. energy: 0.816
local terms energy: -255.718297
where:
bonds (distance) C4'-P energy: -43.814
bonds (distance) P-C4' energy: -53.731
flat angles C4'-P-C4' energy: -54.424
flat angles P-C4'-P energy: -37.568
tors. eta vs tors. theta energy: -66.182
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: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -732.480903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.480903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.480903 (E_RNA)
where:
Base-Base interactions energy: -496.419
where: short stacking energy: -207.518
Base-Backbone interact. energy: -0.499
local terms energy: -235.563603
where:
bonds (distance) C4'-P energy: -41.101
bonds (distance) P-C4' energy: -42.921
flat angles C4'-P-C4' energy: -52.530
flat angles P-C4'-P energy: -42.695
tors. eta vs tors. theta energy: -56.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -527.310101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.310101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.310101 (E_RNA)
where:
Base-Base interactions energy: -314.608
where: short stacking energy: -171.242
Base-Backbone interact. energy: 0.719
local terms energy: -213.421042
where:
bonds (distance) C4'-P energy: -48.763
bonds (distance) P-C4' energy: -52.966
flat angles C4'-P-C4' energy: -45.845
flat angles P-C4'-P energy: -22.895
tors. eta vs tors. theta energy: -42.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -419.132673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.132673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.132673 (E_RNA)
where:
Base-Base interactions energy: -227.356
where: short stacking energy: -113.098
Base-Backbone interact. energy: -0.275
local terms energy: -191.502291
where:
bonds (distance) C4'-P energy: -42.638
bonds (distance) P-C4' energy: -44.354
flat angles C4'-P-C4' energy: -50.957
flat angles P-C4'-P energy: -25.099
tors. eta vs tors. theta energy: -28.455
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: 290
Temperature: 1.300000
Total energy: -283.486386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.486386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.486386 (E_RNA)
where:
Base-Base interactions energy: -136.048
where: short stacking energy: -85.016
Base-Backbone interact. energy: -0.975
local terms energy: -146.463013
where:
bonds (distance) C4'-P energy: -43.031
bonds (distance) P-C4' energy: -46.250
flat angles C4'-P-C4' energy: -37.882
flat angles P-C4'-P energy: -23.264
tors. eta vs tors. theta energy: 3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -215.409950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.409950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.409950 (E_RNA)
where:
Base-Base interactions energy: -86.325
where: short stacking energy: -47.362
Base-Backbone interact. energy: -1.113
local terms energy: -127.972769
where:
bonds (distance) C4'-P energy: -41.658
bonds (distance) P-C4' energy: -44.709
flat angles C4'-P-C4' energy: -37.766
flat angles P-C4'-P energy: -25.416
tors. eta vs tors. theta energy: 21.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -943.877457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.877457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.877457 (E_RNA)
where:
Base-Base interactions energy: -649.506
where: short stacking energy: -267.274
Base-Backbone interact. energy: -2.150
local terms energy: -292.220744
where:
bonds (distance) C4'-P energy: -50.938
bonds (distance) P-C4' energy: -58.331
flat angles C4'-P-C4' energy: -60.646
flat angles P-C4'-P energy: -41.919
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: 2, replica: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -912.558690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.558690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.558690 (E_RNA)
where:
Base-Base interactions energy: -620.208
where: short stacking energy: -268.971
Base-Backbone interact. energy: -2.159
local terms energy: -290.191536
where:
bonds (distance) C4'-P energy: -51.404
bonds (distance) P-C4' energy: -52.921
flat angles C4'-P-C4' energy: -59.005
flat angles P-C4'-P energy: -42.137
tors. eta vs tors. theta energy: -84.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -886.026740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.026740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.026740 (E_RNA)
where:
Base-Base interactions energy: -624.263
where: short stacking energy: -247.213
Base-Backbone interact. energy: -1.936
local terms energy: -259.827668
where:
bonds (distance) C4'-P energy: -42.579
bonds (distance) P-C4' energy: -52.208
flat angles C4'-P-C4' energy: -53.622
flat angles P-C4'-P energy: -39.013
tors. eta vs tors. theta energy: -72.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -850.765960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.765960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.765960 (E_RNA)
where:
Base-Base interactions energy: -598.821
where: short stacking energy: -238.836
Base-Backbone interact. energy: -1.139
local terms energy: -250.806271
where:
bonds (distance) C4'-P energy: -41.460
bonds (distance) P-C4' energy: -45.056
flat angles C4'-P-C4' energy: -58.960
flat angles P-C4'-P energy: -37.101
tors. eta vs tors. theta energy: -68.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -772.898338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.898338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.898338 (E_RNA)
where:
Base-Base interactions energy: -522.329
where: short stacking energy: -229.708
Base-Backbone interact. energy: -0.578
local terms energy: -249.990949
where:
bonds (distance) C4'-P energy: -51.248
bonds (distance) P-C4' energy: -51.694
flat angles C4'-P-C4' energy: -49.549
flat angles P-C4'-P energy: -34.790
tors. eta vs tors. theta energy: -62.709
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: 6
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -722.291099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.291099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.291099 (E_RNA)
where:
Base-Base interactions energy: -490.346
where: short stacking energy: -212.015
Base-Backbone interact. energy: 0.681
local terms energy: -232.626640
where:
bonds (distance) C4'-P energy: -40.017
bonds (distance) P-C4' energy: -55.508
flat angles C4'-P-C4' energy: -51.018
flat angles P-C4'-P energy: -31.344
tors. eta vs tors. theta energy: -54.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -496.392039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.392039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.392039 (E_RNA)
where:
Base-Base interactions energy: -287.203
where: short stacking energy: -154.171
Base-Backbone interact. energy: -1.527
local terms energy: -207.662588
where:
bonds (distance) C4'-P energy: -47.745
bonds (distance) P-C4' energy: -45.626
flat angles C4'-P-C4' energy: -46.991
flat angles P-C4'-P energy: -32.547
tors. eta vs tors. theta energy: -34.753
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: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -426.740201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.740201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.740201 (E_RNA)
where:
Base-Base interactions energy: -229.853
where: short stacking energy: -128.781
Base-Backbone interact. energy: -1.580
local terms energy: -195.307497
where:
bonds (distance) C4'-P energy: -40.330
bonds (distance) P-C4' energy: -51.176
flat angles C4'-P-C4' energy: -47.060
flat angles P-C4'-P energy: -35.255
tors. eta vs tors. theta energy: -21.486
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: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -324.505253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.505253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.505253 (E_RNA)
where:
Base-Base interactions energy: -164.505
where: short stacking energy: -94.434
Base-Backbone interact. energy: -0.047
local terms energy: -159.952771
where:
bonds (distance) C4'-P energy: -43.670
bonds (distance) P-C4' energy: -48.235
flat angles C4'-P-C4' energy: -51.349
flat angles P-C4'-P energy: -24.733
tors. eta vs tors. theta energy: 8.035
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: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -257.061635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.061635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.061635 (E_RNA)
where:
Base-Base interactions energy: -125.647
where: short stacking energy: -86.179
Base-Backbone interact. energy: -1.075
local terms energy: -130.339049
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -50.694
flat angles C4'-P-C4' energy: -34.304
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -938.926990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.926990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.926990 (E_RNA)
where:
Base-Base interactions energy: -647.521
where: short stacking energy: -264.739
Base-Backbone interact. energy: -0.742
local terms energy: -290.664217
where:
bonds (distance) C4'-P energy: -59.205
bonds (distance) P-C4' energy: -56.434
flat angles C4'-P-C4' energy: -57.063
flat angles P-C4'-P energy: -38.546
tors. eta vs tors. theta energy: -79.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -891.945575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.945575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.945575 (E_RNA)
where:
Base-Base interactions energy: -612.914
where: short stacking energy: -250.539
Base-Backbone interact. energy: -0.523
local terms energy: -278.508003
where:
bonds (distance) C4'-P energy: -52.358
bonds (distance) P-C4' energy: -50.474
flat angles C4'-P-C4' energy: -56.691
flat angles P-C4'-P energy: -39.212
tors. eta vs tors. theta energy: -79.773
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: 5
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -853.812556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.812556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.812556 (E_RNA)
where:
Base-Base interactions energy: -582.789
where: short stacking energy: -245.357
Base-Backbone interact. energy: -1.955
local terms energy: -269.068734
where:
bonds (distance) C4'-P energy: -50.915
bonds (distance) P-C4' energy: -54.123
flat angles C4'-P-C4' energy: -56.137
flat angles P-C4'-P energy: -42.119
tors. eta vs tors. theta energy: -65.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -852.207141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.207141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.207141 (E_RNA)
where:
Base-Base interactions energy: -602.897
where: short stacking energy: -238.097
Base-Backbone interact. energy: -0.403
local terms energy: -248.907313
where:
bonds (distance) C4'-P energy: -39.861
bonds (distance) P-C4' energy: -46.821
flat angles C4'-P-C4' energy: -60.511
flat angles P-C4'-P energy: -35.609
tors. eta vs tors. theta energy: -66.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -786.458001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.458001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.458001 (E_RNA)
where:
Base-Base interactions energy: -535.441
where: short stacking energy: -236.448
Base-Backbone interact. energy: -1.676
local terms energy: -249.340980
where:
bonds (distance) C4'-P energy: -36.393
bonds (distance) P-C4' energy: -52.010
flat angles C4'-P-C4' energy: -62.468
flat angles P-C4'-P energy: -34.142
tors. eta vs tors. theta energy: -64.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -735.522947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.522947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.522947 (E_RNA)
where:
Base-Base interactions energy: -500.584
where: short stacking energy: -204.062
Base-Backbone interact. energy: -1.521
local terms energy: -233.417725
where:
bonds (distance) C4'-P energy: -45.395
bonds (distance) P-C4' energy: -49.754
flat angles C4'-P-C4' energy: -57.153
flat angles P-C4'-P energy: -29.316
tors. eta vs tors. theta energy: -51.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -474.701595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.701595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.701595 (E_RNA)
where:
Base-Base interactions energy: -275.290
where: short stacking energy: -136.551
Base-Backbone interact. energy: -0.858
local terms energy: -198.553240
where:
bonds (distance) C4'-P energy: -40.828
bonds (distance) P-C4' energy: -48.310
flat angles C4'-P-C4' energy: -44.616
flat angles P-C4'-P energy: -31.452
tors. eta vs tors. theta energy: -33.348
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: 4
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -423.764253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.764253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.764253 (E_RNA)
where:
Base-Base interactions energy: -238.007
where: short stacking energy: -129.049
Base-Backbone interact. energy: 2.029
local terms energy: -187.785494
where:
bonds (distance) C4'-P energy: -44.101
bonds (distance) P-C4' energy: -45.350
flat angles C4'-P-C4' energy: -42.614
flat angles P-C4'-P energy: -31.251
tors. eta vs tors. theta energy: -24.469
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: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -250.755425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.755425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.755425 (E_RNA)
where:
Base-Base interactions energy: -101.321
where: short stacking energy: -70.919
Base-Backbone interact. energy: -1.333
local terms energy: -148.101656
where:
bonds (distance) C4'-P energy: -37.860
bonds (distance) P-C4' energy: -46.605
flat angles C4'-P-C4' energy: -40.016
flat angles P-C4'-P energy: -22.371
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -298.561637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.561637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.561637 (E_RNA)
where:
Base-Base interactions energy: -152.911
where: short stacking energy: -88.605
Base-Backbone interact. energy: -0.739
local terms energy: -144.911871
where:
bonds (distance) C4'-P energy: -50.588
bonds (distance) P-C4' energy: -40.832
flat angles C4'-P-C4' energy: -30.275
flat angles P-C4'-P energy: -25.973
tors. eta vs tors. theta energy: 2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -956.464223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.464223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.464223 (E_RNA)
where:
Base-Base interactions energy: -662.799
where: short stacking energy: -283.377
Base-Backbone interact. energy: -1.936
local terms energy: -291.729428
where:
bonds (distance) C4'-P energy: -55.086
bonds (distance) P-C4' energy: -54.641
flat angles C4'-P-C4' energy: -55.853
flat angles P-C4'-P energy: -48.816
tors. eta vs tors. theta energy: -77.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -887.666095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.666095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.666095 (E_RNA)
where:
Base-Base interactions energy: -613.830
where: short stacking energy: -269.394
Base-Backbone interact. energy: 0.241
local terms energy: -274.076786
where:
bonds (distance) C4'-P energy: -50.145
bonds (distance) P-C4' energy: -48.478
flat angles C4'-P-C4' energy: -57.835
flat angles P-C4'-P energy: -43.926
tors. eta vs tors. theta energy: -73.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -867.348599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.348599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.348599 (E_RNA)
where:
Base-Base interactions energy: -606.193
where: short stacking energy: -244.408
Base-Backbone interact. energy: -2.409
local terms energy: -258.746026
where:
bonds (distance) C4'-P energy: -49.244
bonds (distance) P-C4' energy: -51.554
flat angles C4'-P-C4' energy: -47.385
flat angles P-C4'-P energy: -41.933
tors. eta vs tors. theta energy: -68.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -866.667930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.667930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.667930 (E_RNA)
where:
Base-Base interactions energy: -613.012
where: short stacking energy: -237.925
Base-Backbone interact. energy: -1.250
local terms energy: -252.405946
where:
bonds (distance) C4'-P energy: -54.891
bonds (distance) P-C4' energy: -43.305
flat angles C4'-P-C4' energy: -53.729
flat angles P-C4'-P energy: -30.830
tors. eta vs tors. theta energy: -69.651
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: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -770.507971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.507971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.507971 (E_RNA)
where:
Base-Base interactions energy: -528.195
where: short stacking energy: -218.277
Base-Backbone interact. energy: 2.236
local terms energy: -244.549252
where:
bonds (distance) C4'-P energy: -42.506
bonds (distance) P-C4' energy: -50.006
flat angles C4'-P-C4' energy: -57.028
flat angles P-C4'-P energy: -38.124
tors. eta vs tors. theta energy: -56.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -698.373532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.373532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.373532 (E_RNA)
where:
Base-Base interactions energy: -464.266
where: short stacking energy: -202.766
Base-Backbone interact. energy: -0.643
local terms energy: -233.464587
where:
bonds (distance) C4'-P energy: -46.674
bonds (distance) P-C4' energy: -41.664
flat angles C4'-P-C4' energy: -50.697
flat angles P-C4'-P energy: -38.433
tors. eta vs tors. theta energy: -55.997
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: 293
Temperature: 1.200000
Total energy: -482.259305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.259305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.259305 (E_RNA)
where:
Base-Base interactions energy: -297.717
where: short stacking energy: -139.889
Base-Backbone interact. energy: -1.003
local terms energy: -183.539995
where:
bonds (distance) C4'-P energy: -40.003
bonds (distance) P-C4' energy: -43.528
flat angles C4'-P-C4' energy: -43.669
flat angles P-C4'-P energy: -20.999
tors. eta vs tors. theta energy: -35.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -429.303948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.303948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.303948 (E_RNA)
where:
Base-Base interactions energy: -247.951
where: short stacking energy: -119.699
Base-Backbone interact. energy: -0.654
local terms energy: -180.698226
where:
bonds (distance) C4'-P energy: -54.069
bonds (distance) P-C4' energy: -34.209
flat angles C4'-P-C4' energy: -43.500
flat angles P-C4'-P energy: -26.687
tors. eta vs tors. theta energy: -22.234
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: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -248.056216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.056216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.056216 (E_RNA)
where:
Base-Base interactions energy: -96.236
where: short stacking energy: -74.343
Base-Backbone interact. energy: 0.013
local terms energy: -151.832530
where:
bonds (distance) C4'-P energy: -40.977
bonds (distance) P-C4' energy: -47.569
flat angles C4'-P-C4' energy: -45.599
flat angles P-C4'-P energy: -31.335
tors. eta vs tors. theta energy: 13.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -319.364535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.364535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.364535 (E_RNA)
where:
Base-Base interactions energy: -162.704
where: short stacking energy: -82.297
Base-Backbone interact. energy: -0.184
local terms energy: -156.476400
where:
bonds (distance) C4'-P energy: -43.289
bonds (distance) P-C4' energy: -45.953
flat angles C4'-P-C4' energy: -38.158
flat angles P-C4'-P energy: -34.749
tors. eta vs tors. theta energy: 5.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -939.233501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.233501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.233501 (E_RNA)
where:
Base-Base interactions energy: -667.720
where: short stacking energy: -265.500
Base-Backbone interact. energy: -1.721
local terms energy: -269.792171
where:
bonds (distance) C4'-P energy: -49.121
bonds (distance) P-C4' energy: -53.027
flat angles C4'-P-C4' energy: -56.191
flat angles P-C4'-P energy: -34.404
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: 2, replica: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -899.185703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.185703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.185703 (E_RNA)
where:
Base-Base interactions energy: -617.582
where: short stacking energy: -233.344
Base-Backbone interact. energy: -1.611
local terms energy: -279.992260
where:
bonds (distance) C4'-P energy: -53.110
bonds (distance) P-C4' energy: -56.088
flat angles C4'-P-C4' energy: -58.986
flat angles P-C4'-P energy: -41.635
tors. eta vs tors. theta energy: -70.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -887.113674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.113674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.113674 (E_RNA)
where:
Base-Base interactions energy: -623.966
where: short stacking energy: -238.034
Base-Backbone interact. energy: -1.164
local terms energy: -261.983762
where:
bonds (distance) C4'-P energy: -53.755
bonds (distance) P-C4' energy: -52.489
flat angles C4'-P-C4' energy: -53.361
flat angles P-C4'-P energy: -40.076
tors. eta vs tors. theta energy: -62.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -864.087620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.087620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.087620 (E_RNA)
where:
Base-Base interactions energy: -600.535
where: short stacking energy: -257.598
Base-Backbone interact. energy: -2.219
local terms energy: -261.333332
where:
bonds (distance) C4'-P energy: -46.114
bonds (distance) P-C4' energy: -54.170
flat angles C4'-P-C4' energy: -57.496
flat angles P-C4'-P energy: -33.309
tors. eta vs tors. theta energy: -70.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -773.364838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.364838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.364838 (E_RNA)
where:
Base-Base interactions energy: -529.512
where: short stacking energy: -233.685
Base-Backbone interact. energy: -1.150
local terms energy: -242.702508
where:
bonds (distance) C4'-P energy: -38.915
bonds (distance) P-C4' energy: -46.797
flat angles C4'-P-C4' energy: -56.577
flat angles P-C4'-P energy: -29.170
tors. eta vs tors. theta energy: -71.243
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: 10
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -755.642922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.642922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.642922 (E_RNA)
where:
Base-Base interactions energy: -517.728
where: short stacking energy: -217.834
Base-Backbone interact. energy: 0.598
local terms energy: -238.512561
where:
bonds (distance) C4'-P energy: -49.656
bonds (distance) P-C4' energy: -43.251
flat angles C4'-P-C4' energy: -55.268
flat angles P-C4'-P energy: -41.553
tors. eta vs tors. theta energy: -48.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -492.085797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.085797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.085797 (E_RNA)
where:
Base-Base interactions energy: -300.108
where: short stacking energy: -148.680
Base-Backbone interact. energy: 1.052
local terms energy: -193.028859
where:
bonds (distance) C4'-P energy: -47.756
bonds (distance) P-C4' energy: -46.242
flat angles C4'-P-C4' energy: -48.085
flat angles P-C4'-P energy: -26.796
tors. eta vs tors. theta energy: -24.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -426.190506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.190506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.190506 (E_RNA)
where:
Base-Base interactions energy: -223.949
where: short stacking energy: -139.170
Base-Backbone interact. energy: -0.428
local terms energy: -201.813436
where:
bonds (distance) C4'-P energy: -51.930
bonds (distance) P-C4' energy: -45.192
flat angles C4'-P-C4' energy: -32.708
flat angles P-C4'-P energy: -37.023
tors. eta vs tors. theta energy: -34.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -316.244382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.244382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.244382 (E_RNA)
where:
Base-Base interactions energy: -146.559
where: short stacking energy: -74.499
Base-Backbone interact. energy: -0.891
local terms energy: -168.794402
where:
bonds (distance) C4'-P energy: -48.082
bonds (distance) P-C4' energy: -54.753
flat angles C4'-P-C4' energy: -41.605
flat angles P-C4'-P energy: -24.593
tors. eta vs tors. theta energy: 0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -217.467737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.467737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.467737 (E_RNA)
where:
Base-Base interactions energy: -76.659
where: short stacking energy: -75.340
Base-Backbone interact. energy: 1.505
local terms energy: -142.313889
where:
bonds (distance) C4'-P energy: -46.707
bonds (distance) P-C4' energy: -44.057
flat angles C4'-P-C4' energy: -41.291
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: 1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -951.080688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.080688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.080688 (E_RNA)
where:
Base-Base interactions energy: -658.378
where: short stacking energy: -258.502
Base-Backbone interact. energy: -1.067
local terms energy: -291.635493
where:
bonds (distance) C4'-P energy: -46.846
bonds (distance) P-C4' energy: -56.528
flat angles C4'-P-C4' energy: -61.489
flat angles P-C4'-P energy: -44.861
tors. eta vs tors. theta energy: -81.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -900.609680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.609680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.609680 (E_RNA)
where:
Base-Base interactions energy: -620.435
where: short stacking energy: -243.659
Base-Backbone interact. energy: -1.434
local terms energy: -278.740829
where:
bonds (distance) C4'-P energy: -52.161
bonds (distance) P-C4' energy: -58.127
flat angles C4'-P-C4' energy: -57.223
flat angles P-C4'-P energy: -40.607
tors. eta vs tors. theta energy: -70.623
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: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -904.887327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.887327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.887327 (E_RNA)
where:
Base-Base interactions energy: -627.356
where: short stacking energy: -242.663
Base-Backbone interact. energy: -1.090
local terms energy: -276.441197
where:
bonds (distance) C4'-P energy: -55.496
bonds (distance) P-C4' energy: -58.758
flat angles C4'-P-C4' energy: -56.460
flat angles P-C4'-P energy: -36.037
tors. eta vs tors. theta energy: -69.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -863.159836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.159836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.159836 (E_RNA)
where:
Base-Base interactions energy: -603.141
where: short stacking energy: -245.481
Base-Backbone interact. energy: -3.349
local terms energy: -256.669309
where:
bonds (distance) C4'-P energy: -48.019
bonds (distance) P-C4' energy: -45.114
flat angles C4'-P-C4' energy: -56.600
flat angles P-C4'-P energy: -38.142
tors. eta vs tors. theta energy: -68.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -794.534372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.534372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.534372 (E_RNA)
where:
Base-Base interactions energy: -537.876
where: short stacking energy: -238.326
Base-Backbone interact. energy: 0.942
local terms energy: -257.599855
where:
bonds (distance) C4'-P energy: -45.008
bonds (distance) P-C4' energy: -58.599
flat angles C4'-P-C4' energy: -55.263
flat angles P-C4'-P energy: -26.796
tors. eta vs tors. theta energy: -71.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -756.693124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.693124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.693124 (E_RNA)
where:
Base-Base interactions energy: -519.919
where: short stacking energy: -223.322
Base-Backbone interact. energy: -0.070
local terms energy: -236.703878
where:
bonds (distance) C4'-P energy: -44.853
bonds (distance) P-C4' energy: -44.628
flat angles C4'-P-C4' energy: -56.192
flat angles P-C4'-P energy: -33.955
tors. eta vs tors. theta energy: -57.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -510.579303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.579303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.579303 (E_RNA)
where:
Base-Base interactions energy: -303.793
where: short stacking energy: -143.789
Base-Backbone interact. energy: -1.107
local terms energy: -205.679451
where:
bonds (distance) C4'-P energy: -44.476
bonds (distance) P-C4' energy: -56.467
flat angles C4'-P-C4' energy: -44.784
flat angles P-C4'-P energy: -27.384
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: 8, replica: 4
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -420.643474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.643474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.643474 (E_RNA)
where:
Base-Base interactions energy: -217.985
where: short stacking energy: -123.572
Base-Backbone interact. energy: -0.291
local terms energy: -202.367750
where:
bonds (distance) C4'-P energy: -49.569
bonds (distance) P-C4' energy: -54.488
flat angles C4'-P-C4' energy: -45.495
flat angles P-C4'-P energy: -24.632
tors. eta vs tors. theta energy: -28.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -319.474931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.474931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.474931 (E_RNA)
where:
Base-Base interactions energy: -143.743
where: short stacking energy: -84.574
Base-Backbone interact. energy: -0.849
local terms energy: -174.882938
where:
bonds (distance) C4'-P energy: -41.912
bonds (distance) P-C4' energy: -56.746
flat angles C4'-P-C4' energy: -35.454
flat angles P-C4'-P energy: -35.038
tors. eta vs tors. theta energy: -5.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -240.249760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.249760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.249760 (E_RNA)
where:
Base-Base interactions energy: -85.774
where: short stacking energy: -68.332
Base-Backbone interact. energy: -1.414
local terms energy: -153.061418
where:
bonds (distance) C4'-P energy: -40.813
bonds (distance) P-C4' energy: -52.952
flat angles C4'-P-C4' energy: -40.840
flat angles P-C4'-P energy: -17.111
tors. eta vs tors. theta energy: -1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -949.452826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.452826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.452826 (E_RNA)
where:
Base-Base interactions energy: -660.335
where: short stacking energy: -275.514
Base-Backbone interact. energy: -1.014
local terms energy: -288.103684
where:
bonds (distance) C4'-P energy: -52.683
bonds (distance) P-C4' energy: -51.052
flat angles C4'-P-C4' energy: -62.750
flat angles P-C4'-P energy: -42.703
tors. eta vs tors. theta energy: -78.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -895.182411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.182411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.182411 (E_RNA)
where:
Base-Base interactions energy: -619.505
where: short stacking energy: -252.851
Base-Backbone interact. energy: -1.217
local terms energy: -274.460359
where:
bonds (distance) C4'-P energy: -47.804
bonds (distance) P-C4' energy: -59.315
flat angles C4'-P-C4' energy: -57.147
flat angles P-C4'-P energy: -32.559
tors. eta vs tors. theta energy: -77.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -895.710586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.710586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.710586 (E_RNA)
where:
Base-Base interactions energy: -629.281
where: short stacking energy: -250.223
Base-Backbone interact. energy: -1.808
local terms energy: -264.621230
where:
bonds (distance) C4'-P energy: -50.751
bonds (distance) P-C4' energy: -52.641
flat angles C4'-P-C4' energy: -62.109
flat angles P-C4'-P energy: -33.820
tors. eta vs tors. theta energy: -65.301
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: 296
Temperature: 1.050000
Total energy: -873.537103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.537103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.537103 (E_RNA)
where:
Base-Base interactions energy: -613.797
where: short stacking energy: -245.284
Base-Backbone interact. energy: -1.845
local terms energy: -257.895914
where:
bonds (distance) C4'-P energy: -51.256
bonds (distance) P-C4' energy: -39.383
flat angles C4'-P-C4' energy: -64.042
flat angles P-C4'-P energy: -28.479
tors. eta vs tors. theta energy: -74.736
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: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -809.496633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.496633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.496633 (E_RNA)
where:
Base-Base interactions energy: -556.739
where: short stacking energy: -241.322
Base-Backbone interact. energy: -0.472
local terms energy: -252.285345
where:
bonds (distance) C4'-P energy: -44.754
bonds (distance) P-C4' energy: -44.343
flat angles C4'-P-C4' energy: -52.650
flat angles P-C4'-P energy: -33.271
tors. eta vs tors. theta energy: -77.268
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: 6, replica: 10
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -733.050129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.050129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.050129 (E_RNA)
where:
Base-Base interactions energy: -485.213
where: short stacking energy: -215.198
Base-Backbone interact. energy: -1.358
local terms energy: -246.479878
where:
bonds (distance) C4'-P energy: -43.680
bonds (distance) P-C4' energy: -57.336
flat angles C4'-P-C4' energy: -52.703
flat angles P-C4'-P energy: -36.897
tors. eta vs tors. theta energy: -55.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -505.157670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.157670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.157670 (E_RNA)
where:
Base-Base interactions energy: -323.171
where: short stacking energy: -161.690
Base-Backbone interact. energy: -0.862
local terms energy: -181.125092
where:
bonds (distance) C4'-P energy: -42.673
bonds (distance) P-C4' energy: -39.431
flat angles C4'-P-C4' energy: -49.796
flat angles P-C4'-P energy: -30.782
tors. eta vs tors. theta energy: -18.443
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: 4
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -420.080184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.080184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.080184 (E_RNA)
where:
Base-Base interactions energy: -246.031
where: short stacking energy: -154.355
Base-Backbone interact. energy: -0.590
local terms energy: -173.459584
where:
bonds (distance) C4'-P energy: -34.184
bonds (distance) P-C4' energy: -51.922
flat angles C4'-P-C4' energy: -41.452
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -35.043
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: 8
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -318.106022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.106022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.106022 (E_RNA)
where:
Base-Base interactions energy: -161.630
where: short stacking energy: -90.084
Base-Backbone interact. energy: 1.006
local terms energy: -157.482305
where:
bonds (distance) C4'-P energy: -43.193
bonds (distance) P-C4' energy: -43.909
flat angles C4'-P-C4' energy: -33.568
flat angles P-C4'-P energy: -28.384
tors. eta vs tors. theta energy: -8.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -247.369911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.369911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.369911 (E_RNA)
where:
Base-Base interactions energy: -89.120
where: short stacking energy: -45.796
Base-Backbone interact. energy: -0.781
local terms energy: -157.469224
where:
bonds (distance) C4'-P energy: -43.274
bonds (distance) P-C4' energy: -61.984
flat angles C4'-P-C4' energy: -30.901
flat angles P-C4'-P energy: -27.858
tors. eta vs tors. theta energy: 6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -957.555451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.555451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.555451 (E_RNA)
where:
Base-Base interactions energy: -668.604
where: short stacking energy: -281.404
Base-Backbone interact. energy: -1.571
local terms energy: -287.380620
where:
bonds (distance) C4'-P energy: -52.714
bonds (distance) P-C4' energy: -56.830
flat angles C4'-P-C4' energy: -59.456
flat angles P-C4'-P energy: -33.052
tors. eta vs tors. theta energy: -85.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -906.885733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.885733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.885733 (E_RNA)
where:
Base-Base interactions energy: -640.556
where: short stacking energy: -252.649
Base-Backbone interact. energy: -1.692
local terms energy: -264.637945
where:
bonds (distance) C4'-P energy: -54.445
bonds (distance) P-C4' energy: -45.479
flat angles C4'-P-C4' energy: -55.976
flat angles P-C4'-P energy: -36.783
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: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -896.272021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.272021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.272021 (E_RNA)
where:
Base-Base interactions energy: -620.366
where: short stacking energy: -274.393
Base-Backbone interact. energy: -0.900
local terms energy: -275.006436
where:
bonds (distance) C4'-P energy: -46.391
bonds (distance) P-C4' energy: -53.188
flat angles C4'-P-C4' energy: -53.422
flat angles P-C4'-P energy: -43.672
tors. eta vs tors. theta energy: -78.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -850.133826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.133826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.133826 (E_RNA)
where:
Base-Base interactions energy: -591.589
where: short stacking energy: -251.353
Base-Backbone interact. energy: 0.105
local terms energy: -258.649959
where:
bonds (distance) C4'-P energy: -50.796
bonds (distance) P-C4' energy: -49.504
flat angles C4'-P-C4' energy: -53.698
flat angles P-C4'-P energy: -32.939
tors. eta vs tors. theta energy: -71.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -802.592526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.592526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.592526 (E_RNA)
where:
Base-Base interactions energy: -549.800
where: short stacking energy: -232.459
Base-Backbone interact. energy: -0.548
local terms energy: -252.244784
where:
bonds (distance) C4'-P energy: -50.464
bonds (distance) P-C4' energy: -48.608
flat angles C4'-P-C4' energy: -45.659
flat angles P-C4'-P energy: -32.564
tors. eta vs tors. theta energy: -74.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -745.230784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.230784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.230784 (E_RNA)
where:
Base-Base interactions energy: -520.243
where: short stacking energy: -213.089
Base-Backbone interact. energy: -1.969
local terms energy: -223.018576
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -40.457
flat angles C4'-P-C4' energy: -48.302
flat angles P-C4'-P energy: -29.153
tors. eta vs tors. theta energy: -56.527
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: 297
Temperature: 1.200000
Total energy: -520.513684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.513684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.513684 (E_RNA)
where:
Base-Base interactions energy: -325.835
where: short stacking energy: -173.512
Base-Backbone interact. energy: 1.167
local terms energy: -195.845785
where:
bonds (distance) C4'-P energy: -42.464
bonds (distance) P-C4' energy: -33.188
flat angles C4'-P-C4' energy: -49.337
flat angles P-C4'-P energy: -27.121
tors. eta vs tors. theta energy: -43.737
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: 4
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -427.080554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.080554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.080554 (E_RNA)
where:
Base-Base interactions energy: -234.074
where: short stacking energy: -117.843
Base-Backbone interact. energy: 1.077
local terms energy: -194.082770
where:
bonds (distance) C4'-P energy: -45.650
bonds (distance) P-C4' energy: -48.958
flat angles C4'-P-C4' energy: -42.206
flat angles P-C4'-P energy: -32.096
tors. eta vs tors. theta energy: -25.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -246.294381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.294381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.294381 (E_RNA)
where:
Base-Base interactions energy: -106.254
where: short stacking energy: -88.720
Base-Backbone interact. energy: -0.727
local terms energy: -139.313655
where:
bonds (distance) C4'-P energy: -36.143
bonds (distance) P-C4' energy: -37.577
flat angles C4'-P-C4' energy: -36.482
flat angles P-C4'-P energy: -31.507
tors. eta vs tors. theta energy: 2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -248.857771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.857771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.857771 (E_RNA)
where:
Base-Base interactions energy: -92.799
where: short stacking energy: -75.152
Base-Backbone interact. energy: 3.908
local terms energy: -159.965957
where:
bonds (distance) C4'-P energy: -50.766
bonds (distance) P-C4' energy: -42.235
flat angles C4'-P-C4' energy: -42.078
flat angles P-C4'-P energy: -22.495
tors. eta vs tors. theta energy: -2.393
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: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -949.942105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.942105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.942105 (E_RNA)
where:
Base-Base interactions energy: -668.923
where: short stacking energy: -292.036
Base-Backbone interact. energy: -1.979
local terms energy: -279.040128
where:
bonds (distance) C4'-P energy: -48.223
bonds (distance) P-C4' energy: -43.798
flat angles C4'-P-C4' energy: -62.180
flat angles P-C4'-P energy: -39.219
tors. eta vs tors. theta energy: -85.620
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: 2, replica: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -902.760905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.760905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.760905 (E_RNA)
where:
Base-Base interactions energy: -635.877
where: short stacking energy: -256.892
Base-Backbone interact. energy: 0.600
local terms energy: -267.483641
where:
bonds (distance) C4'-P energy: -44.656
bonds (distance) P-C4' energy: -52.810
flat angles C4'-P-C4' energy: -57.894
flat angles P-C4'-P energy: -42.168
tors. eta vs tors. theta energy: -69.955
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: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -890.390665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.390665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.390665 (E_RNA)
where:
Base-Base interactions energy: -618.965
where: short stacking energy: -249.348
Base-Backbone interact. energy: -3.493
local terms energy: -267.932332
where:
bonds (distance) C4'-P energy: -53.304
bonds (distance) P-C4' energy: -53.106
flat angles C4'-P-C4' energy: -55.597
flat angles P-C4'-P energy: -34.627
tors. eta vs tors. theta energy: -71.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -845.535178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.535178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.535178 (E_RNA)
where:
Base-Base interactions energy: -588.651
where: short stacking energy: -222.128
Base-Backbone interact. energy: -1.558
local terms energy: -255.326012
where:
bonds (distance) C4'-P energy: -49.213
bonds (distance) P-C4' energy: -46.376
flat angles C4'-P-C4' energy: -64.815
flat angles P-C4'-P energy: -39.465
tors. eta vs tors. theta energy: -55.457
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: 5, replica: 6
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -778.850108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.850108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.850108 (E_RNA)
where:
Base-Base interactions energy: -524.602
where: short stacking energy: -220.777
Base-Backbone interact. energy: -2.109
local terms energy: -252.139078
where:
bonds (distance) C4'-P energy: -43.976
bonds (distance) P-C4' energy: -56.809
flat angles C4'-P-C4' energy: -51.659
flat angles P-C4'-P energy: -34.622
tors. eta vs tors. theta energy: -65.072
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: 6, replica: 10
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -715.215210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.215210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.215210 (E_RNA)
where:
Base-Base interactions energy: -493.027
where: short stacking energy: -216.795
Base-Backbone interact. energy: -0.334
local terms energy: -221.853734
where:
bonds (distance) C4'-P energy: -41.161
bonds (distance) P-C4' energy: -45.832
flat angles C4'-P-C4' energy: -50.743
flat angles P-C4'-P energy: -32.562
tors. eta vs tors. theta energy: -51.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -511.079950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.079950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.079950 (E_RNA)
where:
Base-Base interactions energy: -295.154
where: short stacking energy: -154.945
Base-Backbone interact. energy: -0.460
local terms energy: -215.465755
where:
bonds (distance) C4'-P energy: -52.309
bonds (distance) P-C4' energy: -50.467
flat angles C4'-P-C4' energy: -41.569
flat angles P-C4'-P energy: -31.041
tors. eta vs tors. theta energy: -40.080
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: 4
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -404.543919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.543919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.543919 (E_RNA)
where:
Base-Base interactions energy: -214.356
where: short stacking energy: -107.829
Base-Backbone interact. energy: -0.774
local terms energy: -189.414086
where:
bonds (distance) C4'-P energy: -57.873
bonds (distance) P-C4' energy: -44.736
flat angles C4'-P-C4' energy: -45.311
flat angles P-C4'-P energy: -27.562
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -289.046239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.046239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.046239 (E_RNA)
where:
Base-Base interactions energy: -119.194
where: short stacking energy: -81.492
Base-Backbone interact. energy: -1.071
local terms energy: -168.781250
where:
bonds (distance) C4'-P energy: -45.686
bonds (distance) P-C4' energy: -46.216
flat angles C4'-P-C4' energy: -37.616
flat angles P-C4'-P energy: -26.029
tors. eta vs tors. theta energy: -13.235
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: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -234.288228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.288228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.288228 (E_RNA)
where:
Base-Base interactions energy: -96.738
where: short stacking energy: -65.732
Base-Backbone interact. energy: -0.980
local terms energy: -136.570769
where:
bonds (distance) C4'-P energy: -36.011
bonds (distance) P-C4' energy: -41.469
flat angles C4'-P-C4' energy: -33.517
flat angles P-C4'-P energy: -27.232
tors. eta vs tors. theta energy: 1.658
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: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -964.849595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.849595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.849595 (E_RNA)
where:
Base-Base interactions energy: -662.967
where: short stacking energy: -279.250
Base-Backbone interact. energy: -4.002
local terms energy: -297.880649
where:
bonds (distance) C4'-P energy: -55.765
bonds (distance) P-C4' energy: -53.700
flat angles C4'-P-C4' energy: -62.614
flat angles P-C4'-P energy: -44.367
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: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -935.386205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.386205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.386205 (E_RNA)
where:
Base-Base interactions energy: -645.930
where: short stacking energy: -252.577
Base-Backbone interact. energy: -1.537
local terms energy: -287.919356
where:
bonds (distance) C4'-P energy: -52.197
bonds (distance) P-C4' energy: -54.560
flat angles C4'-P-C4' energy: -60.111
flat angles P-C4'-P energy: -43.947
tors. eta vs tors. theta energy: -77.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -906.354209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.354209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.354209 (E_RNA)
where:
Base-Base interactions energy: -643.145
where: short stacking energy: -256.999
Base-Backbone interact. energy: -1.945
local terms energy: -261.264595
where:
bonds (distance) C4'-P energy: -50.758
bonds (distance) P-C4' energy: -42.665
flat angles C4'-P-C4' energy: -56.687
flat angles P-C4'-P energy: -35.102
tors. eta vs tors. theta energy: -76.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -848.584138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.584138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.584138 (E_RNA)
where:
Base-Base interactions energy: -582.052
where: short stacking energy: -231.708
Base-Backbone interact. energy: -1.331
local terms energy: -265.201320
where:
bonds (distance) C4'-P energy: -46.079
bonds (distance) P-C4' energy: -58.049
flat angles C4'-P-C4' energy: -53.187
flat angles P-C4'-P energy: -39.732
tors. eta vs tors. theta energy: -68.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -772.079062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.079062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.079062 (E_RNA)
where:
Base-Base interactions energy: -514.431
where: short stacking energy: -219.522
Base-Backbone interact. energy: 1.181
local terms energy: -258.829679
where:
bonds (distance) C4'-P energy: -49.422
bonds (distance) P-C4' energy: -58.730
flat angles C4'-P-C4' energy: -50.460
flat angles P-C4'-P energy: -33.105
tors. eta vs tors. theta energy: -67.113
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: 10
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -719.821341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.821341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.821341 (E_RNA)
where:
Base-Base interactions energy: -470.391
where: short stacking energy: -205.426
Base-Backbone interact. energy: 0.343
local terms energy: -249.773254
where:
bonds (distance) C4'-P energy: -41.222
bonds (distance) P-C4' energy: -48.407
flat angles C4'-P-C4' energy: -60.525
flat angles P-C4'-P energy: -40.542
tors. eta vs tors. theta energy: -59.078
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: 7, replica: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -569.444628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.444628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.444628 (E_RNA)
where:
Base-Base interactions energy: -356.805
where: short stacking energy: -173.483
Base-Backbone interact. energy: -1.763
local terms energy: -210.877196
where:
bonds (distance) C4'-P energy: -37.241
bonds (distance) P-C4' energy: -49.140
flat angles C4'-P-C4' energy: -44.424
flat angles P-C4'-P energy: -37.678
tors. eta vs tors. theta energy: -42.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -405.819252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.819252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.819252 (E_RNA)
where:
Base-Base interactions energy: -221.275
where: short stacking energy: -120.419
Base-Backbone interact. energy: 1.841
local terms energy: -186.385378
where:
bonds (distance) C4'-P energy: -53.236
bonds (distance) P-C4' energy: -47.038
flat angles C4'-P-C4' energy: -33.288
flat angles P-C4'-P energy: -31.402
tors. eta vs tors. theta energy: -21.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -267.066223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.066223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.066223 (E_RNA)
where:
Base-Base interactions energy: -124.084
where: short stacking energy: -68.287
Base-Backbone interact. energy: -0.037
local terms energy: -142.944551
where:
bonds (distance) C4'-P energy: -49.169
bonds (distance) P-C4' energy: -42.809
flat angles C4'-P-C4' energy: -34.650
flat angles P-C4'-P energy: -22.551
tors. eta vs tors. theta energy: 6.235
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: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -210.663549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.663549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.663549 (E_RNA)
where:
Base-Base interactions energy: -50.887
where: short stacking energy: -48.583
Base-Backbone interact. energy: 0.305
local terms energy: -160.081704
where:
bonds (distance) C4'-P energy: -41.538
bonds (distance) P-C4' energy: -53.082
flat angles C4'-P-C4' energy: -45.831
flat angles P-C4'-P energy: -33.877
tors. eta vs tors. theta energy: 14.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -929.791829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.791829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.791829 (E_RNA)
where:
Base-Base interactions energy: -659.562
where: short stacking energy: -257.626
Base-Backbone interact. energy: 0.425
local terms energy: -270.655062
where:
bonds (distance) C4'-P energy: -53.150
bonds (distance) P-C4' energy: -48.229
flat angles C4'-P-C4' energy: -58.956
flat angles P-C4'-P energy: -34.682
tors. eta vs tors. theta energy: -75.637
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: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -918.497926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.497926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.497926 (E_RNA)
where:
Base-Base interactions energy: -639.055
where: short stacking energy: -275.500
Base-Backbone interact. energy: -0.795
local terms energy: -278.648047
where:
bonds (distance) C4'-P energy: -54.060
bonds (distance) P-C4' energy: -55.579
flat angles C4'-P-C4' energy: -57.868
flat angles P-C4'-P energy: -31.721
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: 3, replica: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -904.196280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.196280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.196280 (E_RNA)
where:
Base-Base interactions energy: -621.862
where: short stacking energy: -254.002
Base-Backbone interact. energy: -1.292
local terms energy: -281.042652
where:
bonds (distance) C4'-P energy: -52.013
bonds (distance) P-C4' energy: -49.384
flat angles C4'-P-C4' energy: -59.467
flat angles P-C4'-P energy: -42.845
tors. eta vs tors. theta energy: -77.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -835.264918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.264918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.264918 (E_RNA)
where:
Base-Base interactions energy: -596.556
where: short stacking energy: -250.883
Base-Backbone interact. energy: 0.078
local terms energy: -238.786968
where:
bonds (distance) C4'-P energy: -44.380
bonds (distance) P-C4' energy: -48.579
flat angles C4'-P-C4' energy: -53.671
flat angles P-C4'-P energy: -25.577
tors. eta vs tors. theta energy: -66.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -769.829279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.829279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.829279 (E_RNA)
where:
Base-Base interactions energy: -526.907
where: short stacking energy: -218.257
Base-Backbone interact. energy: 1.490
local terms energy: -244.411683
where:
bonds (distance) C4'-P energy: -51.015
bonds (distance) P-C4' energy: -46.670
flat angles C4'-P-C4' energy: -56.097
flat angles P-C4'-P energy: -29.774
tors. eta vs tors. theta energy: -60.855
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: 10
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -721.281655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.281655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.281655 (E_RNA)
where:
Base-Base interactions energy: -510.344
where: short stacking energy: -221.696
Base-Backbone interact. energy: 1.600
local terms energy: -212.537866
where:
bonds (distance) C4'-P energy: -42.433
bonds (distance) P-C4' energy: -37.479
flat angles C4'-P-C4' energy: -44.741
flat angles P-C4'-P energy: -41.832
tors. eta vs tors. theta energy: -46.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -526.041936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.041936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.041936 (E_RNA)
where:
Base-Base interactions energy: -329.903
where: short stacking energy: -167.173
Base-Backbone interact. energy: -2.002
local terms energy: -194.136785
where:
bonds (distance) C4'-P energy: -47.053
bonds (distance) P-C4' energy: -46.328
flat angles C4'-P-C4' energy: -46.018
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -41.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -415.292723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.292723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.292723 (E_RNA)
where:
Base-Base interactions energy: -221.153
where: short stacking energy: -125.470
Base-Backbone interact. energy: -0.600
local terms energy: -193.540086
where:
bonds (distance) C4'-P energy: -37.496
bonds (distance) P-C4' energy: -57.587
flat angles C4'-P-C4' energy: -53.602
flat angles P-C4'-P energy: -27.295
tors. eta vs tors. theta energy: -17.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -315.423634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.423634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.423634 (E_RNA)
where:
Base-Base interactions energy: -165.318
where: short stacking energy: -83.154
Base-Backbone interact. energy: 1.263
local terms energy: -151.368900
where:
bonds (distance) C4'-P energy: -43.572
bonds (distance) P-C4' energy: -45.871
flat angles C4'-P-C4' energy: -45.778
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -4.638
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: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -230.282841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.282841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.282841 (E_RNA)
where:
Base-Base interactions energy: -71.183
where: short stacking energy: -57.392
Base-Backbone interact. energy: -1.524
local terms energy: -157.575621
where:
bonds (distance) C4'-P energy: -43.545
bonds (distance) P-C4' energy: -56.220
flat angles C4'-P-C4' energy: -42.340
flat angles P-C4'-P energy: -26.231
tors. eta vs tors. theta energy: 10.761
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: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -936.694114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.694114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.694114 (E_RNA)
where:
Base-Base interactions energy: -664.870
where: short stacking energy: -265.001
Base-Backbone interact. energy: 1.492
local terms energy: -273.315844
where:
bonds (distance) C4'-P energy: -40.850
bonds (distance) P-C4' energy: -54.606
flat angles C4'-P-C4' energy: -58.603
flat angles P-C4'-P energy: -42.355
tors. eta vs tors. theta energy: -76.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -917.662927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.662927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.662927 (E_RNA)
where:
Base-Base interactions energy: -632.543
where: short stacking energy: -258.782
Base-Backbone interact. energy: -0.451
local terms energy: -284.669237
where:
bonds (distance) C4'-P energy: -50.086
bonds (distance) P-C4' energy: -55.886
flat angles C4'-P-C4' energy: -56.975
flat angles P-C4'-P energy: -41.862
tors. eta vs tors. theta energy: -79.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -897.532592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.532592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.532592 (E_RNA)
where:
Base-Base interactions energy: -613.157
where: short stacking energy: -255.808
Base-Backbone interact. energy: 0.050
local terms energy: -284.426079
where:
bonds (distance) C4'-P energy: -59.137
bonds (distance) P-C4' energy: -53.928
flat angles C4'-P-C4' energy: -56.519
flat angles P-C4'-P energy: -39.502
tors. eta vs tors. theta energy: -75.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -866.913690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.913690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.913690 (E_RNA)
where:
Base-Base interactions energy: -594.450
where: short stacking energy: -240.858
Base-Backbone interact. energy: -1.537
local terms energy: -270.927066
where:
bonds (distance) C4'-P energy: -47.990
bonds (distance) P-C4' energy: -53.339
flat angles C4'-P-C4' energy: -52.170
flat angles P-C4'-P energy: -44.214
tors. eta vs tors. theta energy: -73.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -778.094208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.094208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.094208 (E_RNA)
where:
Base-Base interactions energy: -513.909
where: short stacking energy: -228.898
Base-Backbone interact. energy: 0.039
local terms energy: -264.223848
where:
bonds (distance) C4'-P energy: -47.820
bonds (distance) P-C4' energy: -51.435
flat angles C4'-P-C4' energy: -53.160
flat angles P-C4'-P energy: -40.375
tors. eta vs tors. theta energy: -71.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -727.127355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.127355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.127355 (E_RNA)
where:
Base-Base interactions energy: -494.696
where: short stacking energy: -220.616
Base-Backbone interact. energy: -0.659
local terms energy: -231.772611
where:
bonds (distance) C4'-P energy: -37.922
bonds (distance) P-C4' energy: -45.170
flat angles C4'-P-C4' energy: -50.828
flat angles P-C4'-P energy: -46.093
tors. eta vs tors. theta energy: -51.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -512.685364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.685364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.685364 (E_RNA)
where:
Base-Base interactions energy: -316.699
where: short stacking energy: -132.034
Base-Backbone interact. energy: -1.110
local terms energy: -194.875782
where:
bonds (distance) C4'-P energy: -44.763
bonds (distance) P-C4' energy: -40.469
flat angles C4'-P-C4' energy: -54.301
flat angles P-C4'-P energy: -39.162
tors. eta vs tors. theta energy: -16.182
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: 4
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -424.019329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.019329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.019329 (E_RNA)
where:
Base-Base interactions energy: -234.435
where: short stacking energy: -135.195
Base-Backbone interact. energy: 0.384
local terms energy: -189.968409
where:
bonds (distance) C4'-P energy: -37.872
bonds (distance) P-C4' energy: -47.568
flat angles C4'-P-C4' energy: -51.372
flat angles P-C4'-P energy: -27.785
tors. eta vs tors. theta energy: -25.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -327.166308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.166308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.166308 (E_RNA)
where:
Base-Base interactions energy: -159.490
where: short stacking energy: -98.792
Base-Backbone interact. energy: -0.823
local terms energy: -166.853230
where:
bonds (distance) C4'-P energy: -47.286
bonds (distance) P-C4' energy: -49.734
flat angles C4'-P-C4' energy: -27.346
flat angles P-C4'-P energy: -27.031
tors. eta vs tors. theta energy: -15.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -272.851640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.851640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.851640 (E_RNA)
where:
Base-Base interactions energy: -109.451
where: short stacking energy: -83.373
Base-Backbone interact. energy: 0.173
local terms energy: -163.573369
where:
bonds (distance) C4'-P energy: -37.134
bonds (distance) P-C4' energy: -56.673
flat angles C4'-P-C4' energy: -40.942
flat angles P-C4'-P energy: -21.541
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -959.079125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.079125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.079125 (E_RNA)
where:
Base-Base interactions energy: -679.370
where: short stacking energy: -272.315
Base-Backbone interact. energy: -2.213
local terms energy: -277.495464
where:
bonds (distance) C4'-P energy: -56.439
bonds (distance) P-C4' energy: -57.390
flat angles C4'-P-C4' energy: -56.334
flat angles P-C4'-P energy: -36.677
tors. eta vs tors. theta energy: -70.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -915.422789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.422789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.422789 (E_RNA)
where:
Base-Base interactions energy: -620.851
where: short stacking energy: -265.333
Base-Backbone interact. energy: 0.613
local terms energy: -295.184798
where:
bonds (distance) C4'-P energy: -55.923
bonds (distance) P-C4' energy: -53.176
flat angles C4'-P-C4' energy: -58.654
flat angles P-C4'-P energy: -44.607
tors. eta vs tors. theta energy: -82.824
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: 5
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -901.940908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.940908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.940908 (E_RNA)
where:
Base-Base interactions energy: -619.399
where: short stacking energy: -252.128
Base-Backbone interact. energy: -0.855
local terms energy: -281.687051
where:
bonds (distance) C4'-P energy: -50.408
bonds (distance) P-C4' energy: -58.344
flat angles C4'-P-C4' energy: -57.205
flat angles P-C4'-P energy: -36.872
tors. eta vs tors. theta energy: -78.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -831.826675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.826675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.826675 (E_RNA)
where:
Base-Base interactions energy: -576.855
where: short stacking energy: -237.461
Base-Backbone interact. energy: -0.862
local terms energy: -254.109468
where:
bonds (distance) C4'-P energy: -53.453
bonds (distance) P-C4' energy: -51.844
flat angles C4'-P-C4' energy: -48.502
flat angles P-C4'-P energy: -38.362
tors. eta vs tors. theta energy: -61.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -787.398637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.398637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.398637 (E_RNA)
where:
Base-Base interactions energy: -536.919
where: short stacking energy: -225.827
Base-Backbone interact. energy: -0.937
local terms energy: -249.542069
where:
bonds (distance) C4'-P energy: -49.411
bonds (distance) P-C4' energy: -48.464
flat angles C4'-P-C4' energy: -59.435
flat angles P-C4'-P energy: -36.685
tors. eta vs tors. theta energy: -55.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -736.180540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.180540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.180540 (E_RNA)
where:
Base-Base interactions energy: -476.860
where: short stacking energy: -220.236
Base-Backbone interact. energy: -0.039
local terms energy: -259.282224
where:
bonds (distance) C4'-P energy: -49.428
bonds (distance) P-C4' energy: -47.629
flat angles C4'-P-C4' energy: -56.652
flat angles P-C4'-P energy: -32.945
tors. eta vs tors. theta energy: -72.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -545.461528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.461528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.461528 (E_RNA)
where:
Base-Base interactions energy: -344.094
where: short stacking energy: -155.240
Base-Backbone interact. energy: -1.369
local terms energy: -199.999140
where:
bonds (distance) C4'-P energy: -45.147
bonds (distance) P-C4' energy: -48.670
flat angles C4'-P-C4' energy: -42.164
flat angles P-C4'-P energy: -33.714
tors. eta vs tors. theta energy: -30.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -406.361857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.361857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.361857 (E_RNA)
where:
Base-Base interactions energy: -222.722
where: short stacking energy: -102.895
Base-Backbone interact. energy: -0.974
local terms energy: -182.666474
where:
bonds (distance) C4'-P energy: -46.465
bonds (distance) P-C4' energy: -51.440
flat angles C4'-P-C4' energy: -44.839
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -23.362
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: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -279.384467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.384467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.384467 (E_RNA)
where:
Base-Base interactions energy: -134.329
where: short stacking energy: -63.620
Base-Backbone interact. energy: 0.932
local terms energy: -145.987709
where:
bonds (distance) C4'-P energy: -50.237
bonds (distance) P-C4' energy: -52.406
flat angles C4'-P-C4' energy: -29.053
flat angles P-C4'-P energy: -19.704
tors. eta vs tors. theta energy: 5.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -293.472698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.472698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.472698 (E_RNA)
where:
Base-Base interactions energy: -149.253
where: short stacking energy: -92.875
Base-Backbone interact. energy: 0.020
local terms energy: -144.240408
where:
bonds (distance) C4'-P energy: -44.287
bonds (distance) P-C4' energy: -41.026
flat angles C4'-P-C4' energy: -38.536
flat angles P-C4'-P energy: -22.437
tors. eta vs tors. theta energy: 2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -933.408981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.408981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.408981 (E_RNA)
where:
Base-Base interactions energy: -657.916
where: short stacking energy: -258.183
Base-Backbone interact. energy: -0.523
local terms energy: -274.969300
where:
bonds (distance) C4'-P energy: -46.613
bonds (distance) P-C4' energy: -51.778
flat angles C4'-P-C4' energy: -61.750
flat angles P-C4'-P energy: -42.203
tors. eta vs tors. theta energy: -72.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -917.459002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.459002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.459002 (E_RNA)
where:
Base-Base interactions energy: -633.994
where: short stacking energy: -264.778
Base-Backbone interact. energy: -1.990
local terms energy: -281.474378
where:
bonds (distance) C4'-P energy: -43.774
bonds (distance) P-C4' energy: -59.677
flat angles C4'-P-C4' energy: -59.038
flat angles P-C4'-P energy: -41.117
tors. eta vs tors. theta energy: -77.870
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: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -904.103023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.103023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.103023 (E_RNA)
where:
Base-Base interactions energy: -629.802
where: short stacking energy: -271.443
Base-Backbone interact. energy: -0.225
local terms energy: -274.075911
where:
bonds (distance) C4'-P energy: -47.910
bonds (distance) P-C4' energy: -49.973
flat angles C4'-P-C4' energy: -51.236
flat angles P-C4'-P energy: -36.977
tors. eta vs tors. theta energy: -87.979
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: 303
Temperature: 1.050000
Total energy: -841.578592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.578592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.578592 (E_RNA)
where:
Base-Base interactions energy: -574.697
where: short stacking energy: -229.153
Base-Backbone interact. energy: 0.952
local terms energy: -267.834038
where:
bonds (distance) C4'-P energy: -48.876
bonds (distance) P-C4' energy: -50.518
flat angles C4'-P-C4' energy: -55.018
flat angles P-C4'-P energy: -38.865
tors. eta vs tors. theta energy: -74.558
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: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -764.685913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.685913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.685913 (E_RNA)
where:
Base-Base interactions energy: -531.473
where: short stacking energy: -217.431
Base-Backbone interact. energy: -0.486
local terms energy: -232.726573
where:
bonds (distance) C4'-P energy: -49.862
bonds (distance) P-C4' energy: -49.806
flat angles C4'-P-C4' energy: -50.312
flat angles P-C4'-P energy: -31.683
tors. eta vs tors. theta energy: -51.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -743.458940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.458940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.458940 (E_RNA)
where:
Base-Base interactions energy: -512.844
where: short stacking energy: -218.965
Base-Backbone interact. energy: -0.782
local terms energy: -229.832487
where:
bonds (distance) C4'-P energy: -46.346
bonds (distance) P-C4' energy: -55.868
flat angles C4'-P-C4' energy: -36.271
flat angles P-C4'-P energy: -31.208
tors. eta vs tors. theta energy: -60.139
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: 7
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -537.695133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.695133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.695133 (E_RNA)
where:
Base-Base interactions energy: -333.788
where: short stacking energy: -160.566
Base-Backbone interact. energy: -1.284
local terms energy: -202.623355
where:
bonds (distance) C4'-P energy: -36.506
bonds (distance) P-C4' energy: -51.668
flat angles C4'-P-C4' energy: -41.162
flat angles P-C4'-P energy: -34.453
tors. eta vs tors. theta energy: -38.834
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: 4
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -398.537662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.537662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.537662 (E_RNA)
where:
Base-Base interactions energy: -221.370
where: short stacking energy: -118.270
Base-Backbone interact. energy: -0.037
local terms energy: -177.129879
where:
bonds (distance) C4'-P energy: -39.958
bonds (distance) P-C4' energy: -54.554
flat angles C4'-P-C4' energy: -44.764
flat angles P-C4'-P energy: -21.289
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -300.780405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.780405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.780405 (E_RNA)
where:
Base-Base interactions energy: -150.477
where: short stacking energy: -96.266
Base-Backbone interact. energy: 1.138
local terms energy: -151.441428
where:
bonds (distance) C4'-P energy: -39.841
bonds (distance) P-C4' energy: -37.633
flat angles C4'-P-C4' energy: -47.495
flat angles P-C4'-P energy: -29.870
tors. eta vs tors. theta energy: 3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -239.345408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.345408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.345408 (E_RNA)
where:
Base-Base interactions energy: -92.735
where: short stacking energy: -47.243
Base-Backbone interact. energy: 6.056
local terms energy: -152.666100
where:
bonds (distance) C4'-P energy: -46.360
bonds (distance) P-C4' energy: -43.282
flat angles C4'-P-C4' energy: -38.836
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -2.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -934.720282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.720282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.720282 (E_RNA)
where:
Base-Base interactions energy: -655.549
where: short stacking energy: -264.482
Base-Backbone interact. energy: -2.221
local terms energy: -276.950105
where:
bonds (distance) C4'-P energy: -43.624
bonds (distance) P-C4' energy: -55.794
flat angles C4'-P-C4' energy: -63.691
flat angles P-C4'-P energy: -38.695
tors. eta vs tors. theta energy: -75.146
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: 2, replica: 5
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -913.726004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.726004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.726004 (E_RNA)
where:
Base-Base interactions energy: -626.713
where: short stacking energy: -263.342
Base-Backbone interact. energy: -1.996
local terms energy: -285.017269
where:
bonds (distance) C4'-P energy: -52.755
bonds (distance) P-C4' energy: -53.571
flat angles C4'-P-C4' energy: -56.954
flat angles P-C4'-P energy: -43.662
tors. eta vs tors. theta energy: -78.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -895.247178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.247178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.247178 (E_RNA)
where:
Base-Base interactions energy: -629.697
where: short stacking energy: -262.244
Base-Backbone interact. energy: -2.080
local terms energy: -263.469996
where:
bonds (distance) C4'-P energy: -40.680
bonds (distance) P-C4' energy: -52.565
flat angles C4'-P-C4' energy: -54.136
flat angles P-C4'-P energy: -33.819
tors. eta vs tors. theta energy: -82.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -827.406751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.406751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.406751 (E_RNA)
where:
Base-Base interactions energy: -585.380
where: short stacking energy: -236.888
Base-Backbone interact. energy: -0.840
local terms energy: -241.187338
where:
bonds (distance) C4'-P energy: -43.928
bonds (distance) P-C4' energy: -48.331
flat angles C4'-P-C4' energy: -51.135
flat angles P-C4'-P energy: -29.681
tors. eta vs tors. theta energy: -68.112
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: 5, replica: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -776.190263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.190263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.190263 (E_RNA)
where:
Base-Base interactions energy: -542.174
where: short stacking energy: -245.584
Base-Backbone interact. energy: -0.552
local terms energy: -233.464352
where:
bonds (distance) C4'-P energy: -46.476
bonds (distance) P-C4' energy: -41.897
flat angles C4'-P-C4' energy: -55.429
flat angles P-C4'-P energy: -29.715
tors. eta vs tors. theta energy: -59.949
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: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -753.231538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.231538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.231538 (E_RNA)
where:
Base-Base interactions energy: -506.699
where: short stacking energy: -224.098
Base-Backbone interact. energy: -0.206
local terms energy: -246.326236
where:
bonds (distance) C4'-P energy: -53.009
bonds (distance) P-C4' energy: -50.913
flat angles C4'-P-C4' energy: -55.184
flat angles P-C4'-P energy: -32.221
tors. eta vs tors. theta energy: -55.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -520.930773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.930773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.930773 (E_RNA)
where:
Base-Base interactions energy: -299.482
where: short stacking energy: -142.106
Base-Backbone interact. energy: -0.676
local terms energy: -220.772111
where:
bonds (distance) C4'-P energy: -45.877
bonds (distance) P-C4' energy: -49.130
flat angles C4'-P-C4' energy: -52.702
flat angles P-C4'-P energy: -37.636
tors. eta vs tors. theta energy: -35.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -411.600593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.600593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.600593 (E_RNA)
where:
Base-Base interactions energy: -213.870
where: short stacking energy: -114.063
Base-Backbone interact. energy: -0.178
local terms energy: -197.552122
where:
bonds (distance) C4'-P energy: -42.333
bonds (distance) P-C4' energy: -54.373
flat angles C4'-P-C4' energy: -49.034
flat angles P-C4'-P energy: -35.215
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -307.594029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.594029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.594029 (E_RNA)
where:
Base-Base interactions energy: -123.930
where: short stacking energy: -71.826
Base-Backbone interact. energy: -0.829
local terms energy: -182.834899
where:
bonds (distance) C4'-P energy: -53.580
bonds (distance) P-C4' energy: -52.555
flat angles C4'-P-C4' energy: -41.459
flat angles P-C4'-P energy: -32.469
tors. eta vs tors. theta energy: -2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -229.431202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.431202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.431202 (E_RNA)
where:
Base-Base interactions energy: -76.576
where: short stacking energy: -67.084
Base-Backbone interact. energy: 1.073
local terms energy: -153.927487
where:
bonds (distance) C4'-P energy: -52.948
bonds (distance) P-C4' energy: -39.940
flat angles C4'-P-C4' energy: -43.529
flat angles P-C4'-P energy: -27.703
tors. eta vs tors. theta energy: 10.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -936.320585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.320585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.320585 (E_RNA)
where:
Base-Base interactions energy: -664.363
where: short stacking energy: -266.813
Base-Backbone interact. energy: -2.224
local terms energy: -269.733523
where:
bonds (distance) C4'-P energy: -52.452
bonds (distance) P-C4' energy: -53.139
flat angles C4'-P-C4' energy: -57.794
flat angles P-C4'-P energy: -32.625
tors. eta vs tors. theta energy: -73.724
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: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -915.054996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.054996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.054996 (E_RNA)
where:
Base-Base interactions energy: -644.834
where: short stacking energy: -268.067
Base-Backbone interact. energy: -1.562
local terms energy: -268.658814
where:
bonds (distance) C4'-P energy: -50.216
bonds (distance) P-C4' energy: -43.127
flat angles C4'-P-C4' energy: -61.439
flat angles P-C4'-P energy: -35.371
tors. eta vs tors. theta energy: -78.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -904.902282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.902282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.902282 (E_RNA)
where:
Base-Base interactions energy: -614.473
where: short stacking energy: -253.870
Base-Backbone interact. energy: -1.523
local terms energy: -288.906685
where:
bonds (distance) C4'-P energy: -47.450
bonds (distance) P-C4' energy: -51.762
flat angles C4'-P-C4' energy: -61.866
flat angles P-C4'-P energy: -46.722
tors. eta vs tors. theta energy: -81.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -768.254440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.254440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.254440 (E_RNA)
where:
Base-Base interactions energy: -529.820
where: short stacking energy: -230.542
Base-Backbone interact. energy: 0.407
local terms energy: -238.841966
where:
bonds (distance) C4'-P energy: -46.031
bonds (distance) P-C4' energy: -39.157
flat angles C4'-P-C4' energy: -55.258
flat angles P-C4'-P energy: -39.816
tors. eta vs tors. theta energy: -58.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -812.891043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.891043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.891043 (E_RNA)
where:
Base-Base interactions energy: -551.159
where: short stacking energy: -225.179
Base-Backbone interact. energy: -0.932
local terms energy: -260.799766
where:
bonds (distance) C4'-P energy: -42.047
bonds (distance) P-C4' energy: -55.568
flat angles C4'-P-C4' energy: -60.136
flat angles P-C4'-P energy: -37.190
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: 6, replica: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -752.276212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.276212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.276212 (E_RNA)
where:
Base-Base interactions energy: -492.668
where: short stacking energy: -208.029
Base-Backbone interact. energy: -0.204
local terms energy: -259.403460
where:
bonds (distance) C4'-P energy: -51.187
bonds (distance) P-C4' energy: -42.303
flat angles C4'-P-C4' energy: -58.964
flat angles P-C4'-P energy: -46.574
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: 7, replica: 7
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -496.584682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.584682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.584682 (E_RNA)
where:
Base-Base interactions energy: -307.968
where: short stacking energy: -147.712
Base-Backbone interact. energy: -1.560
local terms energy: -187.056475
where:
bonds (distance) C4'-P energy: -47.470
bonds (distance) P-C4' energy: -47.048
flat angles C4'-P-C4' energy: -50.629
flat angles P-C4'-P energy: -23.878
tors. eta vs tors. theta energy: -18.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -416.137772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.137772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.137772 (E_RNA)
where:
Base-Base interactions energy: -232.114
where: short stacking energy: -126.107
Base-Backbone interact. energy: -0.797
local terms energy: -183.227622
where:
bonds (distance) C4'-P energy: -45.537
bonds (distance) P-C4' energy: -46.240
flat angles C4'-P-C4' energy: -41.871
flat angles P-C4'-P energy: -22.876
tors. eta vs tors. theta energy: -26.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -307.973679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.973679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.973679 (E_RNA)
where:
Base-Base interactions energy: -137.501
where: short stacking energy: -84.469
Base-Backbone interact. energy: -2.294
local terms energy: -168.178833
where:
bonds (distance) C4'-P energy: -47.723
bonds (distance) P-C4' energy: -51.839
flat angles C4'-P-C4' energy: -31.726
flat angles P-C4'-P energy: -39.893
tors. eta vs tors. theta energy: 3.003
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: 305
Temperature: 1.350000
Total energy: -223.001460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.001460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.001460 (E_RNA)
where:
Base-Base interactions energy: -71.702
where: short stacking energy: -63.483
Base-Backbone interact. energy: -0.595
local terms energy: -150.705327
where:
bonds (distance) C4'-P energy: -50.043
bonds (distance) P-C4' energy: -55.574
flat angles C4'-P-C4' energy: -37.468
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: 2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -937.422558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.422558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.422558 (E_RNA)
where:
Base-Base interactions energy: -665.045
where: short stacking energy: -257.260
Base-Backbone interact. energy: 0.616
local terms energy: -272.993432
where:
bonds (distance) C4'-P energy: -45.171
bonds (distance) P-C4' energy: -53.908
flat angles C4'-P-C4' energy: -61.990
flat angles P-C4'-P energy: -40.388
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: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -905.634993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.634993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.634993 (E_RNA)
where:
Base-Base interactions energy: -630.219
where: short stacking energy: -255.937
Base-Backbone interact. energy: -1.079
local terms energy: -274.336403
where:
bonds (distance) C4'-P energy: -52.689
bonds (distance) P-C4' energy: -52.213
flat angles C4'-P-C4' energy: -64.090
flat angles P-C4'-P energy: -32.900
tors. eta vs tors. theta energy: -72.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -895.947010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.947010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.947010 (E_RNA)
where:
Base-Base interactions energy: -604.471
where: short stacking energy: -251.339
Base-Backbone interact. energy: -1.378
local terms energy: -290.097648
where:
bonds (distance) C4'-P energy: -54.151
bonds (distance) P-C4' energy: -48.136
flat angles C4'-P-C4' energy: -64.819
flat angles P-C4'-P energy: -43.474
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: 4, replica: 10
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -759.791312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.791312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.791312 (E_RNA)
where:
Base-Base interactions energy: -508.416
where: short stacking energy: -231.013
Base-Backbone interact. energy: 1.109
local terms energy: -252.485161
where:
bonds (distance) C4'-P energy: -45.525
bonds (distance) P-C4' energy: -53.298
flat angles C4'-P-C4' energy: -54.449
flat angles P-C4'-P energy: -38.057
tors. eta vs tors. theta energy: -61.155
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: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -824.330783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.330783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.330783 (E_RNA)
where:
Base-Base interactions energy: -564.209
where: short stacking energy: -228.187
Base-Backbone interact. energy: -1.933
local terms energy: -258.188783
where:
bonds (distance) C4'-P energy: -50.095
bonds (distance) P-C4' energy: -50.006
flat angles C4'-P-C4' energy: -55.971
flat angles P-C4'-P energy: -34.532
tors. eta vs tors. theta energy: -67.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -783.077767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.077767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.077767 (E_RNA)
where:
Base-Base interactions energy: -532.929
where: short stacking energy: -239.155
Base-Backbone interact. energy: -1.692
local terms energy: -248.456721
where:
bonds (distance) C4'-P energy: -41.198
bonds (distance) P-C4' energy: -49.912
flat angles C4'-P-C4' energy: -50.594
flat angles P-C4'-P energy: -37.075
tors. eta vs tors. theta energy: -69.678
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: 306
Temperature: 1.200000
Total energy: -487.544874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.544874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.544874 (E_RNA)
where:
Base-Base interactions energy: -298.206
where: short stacking energy: -131.171
Base-Backbone interact. energy: -1.009
local terms energy: -188.329370
where:
bonds (distance) C4'-P energy: -45.137
bonds (distance) P-C4' energy: -45.899
flat angles C4'-P-C4' energy: -44.034
flat angles P-C4'-P energy: -33.672
tors. eta vs tors. theta energy: -19.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -396.321761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.321761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.321761 (E_RNA)
where:
Base-Base interactions energy: -226.848
where: short stacking energy: -124.306
Base-Backbone interact. energy: -0.736
local terms energy: -168.737910
where:
bonds (distance) C4'-P energy: -49.201
bonds (distance) P-C4' energy: -43.750
flat angles C4'-P-C4' energy: -48.921
flat angles P-C4'-P energy: -20.201
tors. eta vs tors. theta energy: -6.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -236.924494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.924494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.924494 (E_RNA)
where:
Base-Base interactions energy: -82.188
where: short stacking energy: -74.778
Base-Backbone interact. energy: -1.808
local terms energy: -152.928717
where:
bonds (distance) C4'-P energy: -31.220
bonds (distance) P-C4' energy: -57.602
flat angles C4'-P-C4' energy: -42.181
flat angles P-C4'-P energy: -32.314
tors. eta vs tors. theta energy: 10.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -286.959177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.959177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.959177 (E_RNA)
where:
Base-Base interactions energy: -143.298
where: short stacking energy: -84.403
Base-Backbone interact. energy: -1.182
local terms energy: -142.479296
where:
bonds (distance) C4'-P energy: -37.114
bonds (distance) P-C4' energy: -47.400
flat angles C4'-P-C4' energy: -42.156
flat angles P-C4'-P energy: -16.831
tors. eta vs tors. theta energy: 1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -942.788773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.788773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.788773 (E_RNA)
where:
Base-Base interactions energy: -667.476
where: short stacking energy: -261.619
Base-Backbone interact. energy: -0.953
local terms energy: -274.359578
where:
bonds (distance) C4'-P energy: -56.001
bonds (distance) P-C4' energy: -52.819
flat angles C4'-P-C4' energy: -57.103
flat angles P-C4'-P energy: -39.423
tors. eta vs tors. theta energy: -69.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -905.901674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.901674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.901674 (E_RNA)
where:
Base-Base interactions energy: -622.434
where: short stacking energy: -259.624
Base-Backbone interact. energy: -1.426
local terms energy: -282.041233
where:
bonds (distance) C4'-P energy: -58.195
bonds (distance) P-C4' energy: -50.030
flat angles C4'-P-C4' energy: -60.184
flat angles P-C4'-P energy: -39.958
tors. eta vs tors. theta energy: -73.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -905.241924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.241924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.241924 (E_RNA)
where:
Base-Base interactions energy: -627.715
where: short stacking energy: -258.872
Base-Backbone interact. energy: -3.271
local terms energy: -274.255866
where:
bonds (distance) C4'-P energy: -49.828
bonds (distance) P-C4' energy: -53.724
flat angles C4'-P-C4' energy: -54.669
flat angles P-C4'-P energy: -39.481
tors. eta vs tors. theta energy: -76.554
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: 4, replica: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -814.735357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.735357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.735357 (E_RNA)
where:
Base-Base interactions energy: -568.553
where: short stacking energy: -244.824
Base-Backbone interact. energy: 1.648
local terms energy: -247.830555
where:
bonds (distance) C4'-P energy: -46.640
bonds (distance) P-C4' energy: -53.659
flat angles C4'-P-C4' energy: -51.771
flat angles P-C4'-P energy: -26.220
tors. eta vs tors. theta energy: -69.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -766.704730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.704730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.704730 (E_RNA)
where:
Base-Base interactions energy: -514.311
where: short stacking energy: -229.316
Base-Backbone interact. energy: -0.071
local terms energy: -252.322907
where:
bonds (distance) C4'-P energy: -50.574
bonds (distance) P-C4' energy: -45.509
flat angles C4'-P-C4' energy: -58.674
flat angles P-C4'-P energy: -42.187
tors. eta vs tors. theta energy: -55.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -777.061212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.061212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.061212 (E_RNA)
where:
Base-Base interactions energy: -526.368
where: short stacking energy: -221.039
Base-Backbone interact. energy: -1.038
local terms energy: -249.655511
where:
bonds (distance) C4'-P energy: -46.005
bonds (distance) P-C4' energy: -52.620
flat angles C4'-P-C4' energy: -54.214
flat angles P-C4'-P energy: -37.902
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: 7, replica: 7
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -531.132504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.132504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.132504 (E_RNA)
where:
Base-Base interactions energy: -353.159
where: short stacking energy: -161.108
Base-Backbone interact. energy: -0.261
local terms energy: -177.712099
where:
bonds (distance) C4'-P energy: -41.238
bonds (distance) P-C4' energy: -43.588
flat angles C4'-P-C4' energy: -40.148
flat angles P-C4'-P energy: -19.896
tors. eta vs tors. theta energy: -32.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -398.756042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.756042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.756042 (E_RNA)
where:
Base-Base interactions energy: -225.338
where: short stacking energy: -133.409
Base-Backbone interact. energy: -1.291
local terms energy: -172.127079
where:
bonds (distance) C4'-P energy: -40.508
bonds (distance) P-C4' energy: -41.659
flat angles C4'-P-C4' energy: -46.487
flat angles P-C4'-P energy: -18.824
tors. eta vs tors. theta energy: -24.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -236.206879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.206879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.206879 (E_RNA)
where:
Base-Base interactions energy: -72.305
where: short stacking energy: -69.810
Base-Backbone interact. energy: -0.068
local terms energy: -163.833742
where:
bonds (distance) C4'-P energy: -48.400
bonds (distance) P-C4' energy: -45.858
flat angles C4'-P-C4' energy: -49.069
flat angles P-C4'-P energy: -28.932
tors. eta vs tors. theta energy: 8.426
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: 10, replica: 8
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -321.142555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.142555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.142555 (E_RNA)
where:
Base-Base interactions energy: -161.653
where: short stacking energy: -81.015
Base-Backbone interact. energy: 0.933
local terms energy: -160.423385
where:
bonds (distance) C4'-P energy: -46.894
bonds (distance) P-C4' energy: -31.927
flat angles C4'-P-C4' energy: -42.118
flat angles P-C4'-P energy: -33.156
tors. eta vs tors. theta energy: -6.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -941.176702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.176702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.176702 (E_RNA)
where:
Base-Base interactions energy: -663.228
where: short stacking energy: -258.456
Base-Backbone interact. energy: 0.303
local terms energy: -278.251509
where:
bonds (distance) C4'-P energy: -57.558
bonds (distance) P-C4' energy: -52.460
flat angles C4'-P-C4' energy: -57.907
flat angles P-C4'-P energy: -39.930
tors. eta vs tors. theta energy: -70.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -887.798540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.798540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.798540 (E_RNA)
where:
Base-Base interactions energy: -622.200
where: short stacking energy: -249.473
Base-Backbone interact. energy: -0.294
local terms energy: -265.304061
where:
bonds (distance) C4'-P energy: -51.711
bonds (distance) P-C4' energy: -47.692
flat angles C4'-P-C4' energy: -52.253
flat angles P-C4'-P energy: -37.330
tors. eta vs tors. theta energy: -76.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -920.044946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.044946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.044946 (E_RNA)
where:
Base-Base interactions energy: -638.216
where: short stacking energy: -267.080
Base-Backbone interact. energy: -0.161
local terms energy: -281.668472
where:
bonds (distance) C4'-P energy: -44.070
bonds (distance) P-C4' energy: -48.352
flat angles C4'-P-C4' energy: -63.166
flat angles P-C4'-P energy: -42.531
tors. eta vs tors. theta energy: -83.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -815.849763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.849763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.849763 (E_RNA)
where:
Base-Base interactions energy: -565.300
where: short stacking energy: -245.538
Base-Backbone interact. energy: 1.439
local terms energy: -251.989412
where:
bonds (distance) C4'-P energy: -43.901
bonds (distance) P-C4' energy: -47.357
flat angles C4'-P-C4' energy: -50.601
flat angles P-C4'-P energy: -41.914
tors. eta vs tors. theta energy: -68.216
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: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -786.514099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.514099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.514099 (E_RNA)
where:
Base-Base interactions energy: -540.220
where: short stacking energy: -226.949
Base-Backbone interact. energy: -1.116
local terms energy: -245.177891
where:
bonds (distance) C4'-P energy: -44.906
bonds (distance) P-C4' energy: -48.591
flat angles C4'-P-C4' energy: -52.346
flat angles P-C4'-P energy: -38.145
tors. eta vs tors. theta energy: -61.190
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: 6, replica: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -749.321572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.321572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.321572 (E_RNA)
where:
Base-Base interactions energy: -519.564
where: short stacking energy: -220.225
Base-Backbone interact. energy: 2.146
local terms energy: -231.904324
where:
bonds (distance) C4'-P energy: -41.066
bonds (distance) P-C4' energy: -53.149
flat angles C4'-P-C4' energy: -52.910
flat angles P-C4'-P energy: -29.658
tors. eta vs tors. theta energy: -55.121
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: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -613.796942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.796942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.796942 (E_RNA)
where:
Base-Base interactions energy: -398.109
where: short stacking energy: -192.821
Base-Backbone interact. energy: -1.167
local terms energy: -214.521205
where:
bonds (distance) C4'-P energy: -47.672
bonds (distance) P-C4' energy: -48.945
flat angles C4'-P-C4' energy: -53.993
flat angles P-C4'-P energy: -21.061
tors. eta vs tors. theta energy: -42.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -416.881165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.881165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.881165 (E_RNA)
where:
Base-Base interactions energy: -246.015
where: short stacking energy: -119.094
Base-Backbone interact. energy: -1.610
local terms energy: -169.256605
where:
bonds (distance) C4'-P energy: -39.694
bonds (distance) P-C4' energy: -43.165
flat angles C4'-P-C4' energy: -45.864
flat angles P-C4'-P energy: -20.377
tors. eta vs tors. theta energy: -20.157
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: 308
Temperature: 1.300000
Total energy: -322.269802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.269802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.269802 (E_RNA)
where:
Base-Base interactions energy: -164.585
where: short stacking energy: -93.747
Base-Backbone interact. energy: 1.465
local terms energy: -159.149920
where:
bonds (distance) C4'-P energy: -45.799
bonds (distance) P-C4' energy: -49.339
flat angles C4'-P-C4' energy: -41.481
flat angles P-C4'-P energy: -26.572
tors. eta vs tors. theta energy: 4.041
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: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -270.242179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.242179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.242179 (E_RNA)
where:
Base-Base interactions energy: -127.857
where: short stacking energy: -78.388
Base-Backbone interact. energy: -1.751
local terms energy: -140.633772
where:
bonds (distance) C4'-P energy: -37.647
bonds (distance) P-C4' energy: -48.128
flat angles C4'-P-C4' energy: -33.582
flat angles P-C4'-P energy: -19.738
tors. eta vs tors. theta energy: -1.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -944.448699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.448699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.448699 (E_RNA)
where:
Base-Base interactions energy: -659.327
where: short stacking energy: -254.684
Base-Backbone interact. energy: -0.360
local terms energy: -284.761949
where:
bonds (distance) C4'-P energy: -48.760
bonds (distance) P-C4' energy: -56.581
flat angles C4'-P-C4' energy: -61.324
flat angles P-C4'-P energy: -41.092
tors. eta vs tors. theta energy: -77.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -937.413253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.413253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.413253 (E_RNA)
where:
Base-Base interactions energy: -631.365
where: short stacking energy: -269.043
Base-Backbone interact. energy: -1.928
local terms energy: -304.120016
where:
bonds (distance) C4'-P energy: -59.249
bonds (distance) P-C4' energy: -52.336
flat angles C4'-P-C4' energy: -63.534
flat angles P-C4'-P energy: -41.083
tors. eta vs tors. theta energy: -87.918
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: 309
Temperature: 1.000000
Total energy: -870.232837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.232837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.232837 (E_RNA)
where:
Base-Base interactions energy: -606.394
where: short stacking energy: -242.085
Base-Backbone interact. energy: -0.985
local terms energy: -262.853753
where:
bonds (distance) C4'-P energy: -37.685
bonds (distance) P-C4' energy: -59.980
flat angles C4'-P-C4' energy: -50.340
flat angles P-C4'-P energy: -38.621
tors. eta vs tors. theta energy: -76.227
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: 1
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -814.586089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.586089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.586089 (E_RNA)
where:
Base-Base interactions energy: -572.667
where: short stacking energy: -214.393
Base-Backbone interact. energy: -2.050
local terms energy: -239.869185
where:
bonds (distance) C4'-P energy: -54.478
bonds (distance) P-C4' energy: -37.255
flat angles C4'-P-C4' energy: -47.366
flat angles P-C4'-P energy: -35.842
tors. eta vs tors. theta energy: -64.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -762.988387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.988387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.988387 (E_RNA)
where:
Base-Base interactions energy: -510.730
where: short stacking energy: -217.381
Base-Backbone interact. energy: -0.592
local terms energy: -251.666024
where:
bonds (distance) C4'-P energy: -56.250
bonds (distance) P-C4' energy: -52.420
flat angles C4'-P-C4' energy: -49.847
flat angles P-C4'-P energy: -31.978
tors. eta vs tors. theta energy: -61.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -771.051700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.051700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.051700 (E_RNA)
where:
Base-Base interactions energy: -523.810
where: short stacking energy: -226.629
Base-Backbone interact. energy: 0.307
local terms energy: -247.549285
where:
bonds (distance) C4'-P energy: -48.290
bonds (distance) P-C4' energy: -60.071
flat angles C4'-P-C4' energy: -45.016
flat angles P-C4'-P energy: -36.661
tors. eta vs tors. theta energy: -57.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -595.365835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.365835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.365835 (E_RNA)
where:
Base-Base interactions energy: -375.470
where: short stacking energy: -165.434
Base-Backbone interact. energy: 0.628
local terms energy: -220.524429
where:
bonds (distance) C4'-P energy: -53.124
bonds (distance) P-C4' energy: -49.279
flat angles C4'-P-C4' energy: -54.058
flat angles P-C4'-P energy: -24.825
tors. eta vs tors. theta energy: -39.238
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: 4
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -408.416817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.416817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.416817 (E_RNA)
where:
Base-Base interactions energy: -226.396
where: short stacking energy: -118.281
Base-Backbone interact. energy: -0.926
local terms energy: -181.095230
where:
bonds (distance) C4'-P energy: -44.407
bonds (distance) P-C4' energy: -44.732
flat angles C4'-P-C4' energy: -44.427
flat angles P-C4'-P energy: -29.571
tors. eta vs tors. theta energy: -17.958
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: 8
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -369.744701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.744701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.744701 (E_RNA)
where:
Base-Base interactions energy: -185.010
where: short stacking energy: -97.205
Base-Backbone interact. energy: -0.881
local terms energy: -183.854029
where:
bonds (distance) C4'-P energy: -49.541
bonds (distance) P-C4' energy: -50.056
flat angles C4'-P-C4' energy: -42.586
flat angles P-C4'-P energy: -28.307
tors. eta vs tors. theta energy: -13.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -271.817728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.817728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.817728 (E_RNA)
where:
Base-Base interactions energy: -116.331
where: short stacking energy: -80.919
Base-Backbone interact. energy: 7.939
local terms energy: -163.425128
where:
bonds (distance) C4'-P energy: -49.669
bonds (distance) P-C4' energy: -36.139
flat angles C4'-P-C4' energy: -52.656
flat angles P-C4'-P energy: -18.161
tors. eta vs tors. theta energy: -6.800
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: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -930.429248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.429248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.429248 (E_RNA)
where:
Base-Base interactions energy: -662.968
where: short stacking energy: -251.112
Base-Backbone interact. energy: 0.168
local terms energy: -267.628769
where:
bonds (distance) C4'-P energy: -46.275
bonds (distance) P-C4' energy: -50.276
flat angles C4'-P-C4' energy: -55.925
flat angles P-C4'-P energy: -45.914
tors. eta vs tors. theta energy: -69.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -930.128350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.128350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.128350 (E_RNA)
where:
Base-Base interactions energy: -648.594
where: short stacking energy: -276.469
Base-Backbone interact. energy: -1.587
local terms energy: -279.947703
where:
bonds (distance) C4'-P energy: -50.249
bonds (distance) P-C4' energy: -52.473
flat angles C4'-P-C4' energy: -60.623
flat angles P-C4'-P energy: -32.783
tors. eta vs tors. theta energy: -83.819
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: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -876.954374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.954374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.954374 (E_RNA)
where:
Base-Base interactions energy: -609.947
where: short stacking energy: -242.888
Base-Backbone interact. energy: -1.741
local terms energy: -265.265548
where:
bonds (distance) C4'-P energy: -47.285
bonds (distance) P-C4' energy: -52.547
flat angles C4'-P-C4' energy: -57.819
flat angles P-C4'-P energy: -33.512
tors. eta vs tors. theta energy: -74.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -785.803462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.803462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.803462 (E_RNA)
where:
Base-Base interactions energy: -550.929
where: short stacking energy: -228.515
Base-Backbone interact. energy: -1.046
local terms energy: -233.828881
where:
bonds (distance) C4'-P energy: -48.368
bonds (distance) P-C4' energy: -42.966
flat angles C4'-P-C4' energy: -53.483
flat angles P-C4'-P energy: -27.970
tors. eta vs tors. theta energy: -61.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -793.394255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.394255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.394255 (E_RNA)
where:
Base-Base interactions energy: -545.343
where: short stacking energy: -242.495
Base-Backbone interact. energy: -1.690
local terms energy: -246.361038
where:
bonds (distance) C4'-P energy: -54.612
bonds (distance) P-C4' energy: -48.178
flat angles C4'-P-C4' energy: -47.788
flat angles P-C4'-P energy: -30.469
tors. eta vs tors. theta energy: -65.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -729.646176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.646176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.646176 (E_RNA)
where:
Base-Base interactions energy: -492.627
where: short stacking energy: -201.237
Base-Backbone interact. energy: -0.826
local terms energy: -236.193378
where:
bonds (distance) C4'-P energy: -50.099
bonds (distance) P-C4' energy: -46.628
flat angles C4'-P-C4' energy: -49.840
flat angles P-C4'-P energy: -35.270
tors. eta vs tors. theta energy: -54.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -584.845153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.845153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.845153 (E_RNA)
where:
Base-Base interactions energy: -387.364
where: short stacking energy: -175.330
Base-Backbone interact. energy: -1.637
local terms energy: -195.843670
where:
bonds (distance) C4'-P energy: -45.808
bonds (distance) P-C4' energy: -48.273
flat angles C4'-P-C4' energy: -44.595
flat angles P-C4'-P energy: -21.552
tors. eta vs tors. theta energy: -35.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -411.846491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.846491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.846491 (E_RNA)
where:
Base-Base interactions energy: -225.770
where: short stacking energy: -131.016
Base-Backbone interact. energy: -2.365
local terms energy: -183.711764
where:
bonds (distance) C4'-P energy: -47.019
bonds (distance) P-C4' energy: -45.672
flat angles C4'-P-C4' energy: -41.281
flat angles P-C4'-P energy: -32.225
tors. eta vs tors. theta energy: -17.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -338.755596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.755596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.755596 (E_RNA)
where:
Base-Base interactions energy: -186.336
where: short stacking energy: -103.121
Base-Backbone interact. energy: -0.968
local terms energy: -151.451718
where:
bonds (distance) C4'-P energy: -43.526
bonds (distance) P-C4' energy: -41.118
flat angles C4'-P-C4' energy: -42.067
flat angles P-C4'-P energy: -24.049
tors. eta vs tors. theta energy: -0.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -252.119461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.119461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.119461 (E_RNA)
where:
Base-Base interactions energy: -108.649
where: short stacking energy: -71.524
Base-Backbone interact. energy: 0.976
local terms energy: -144.446842
where:
bonds (distance) C4'-P energy: -44.978
bonds (distance) P-C4' energy: -46.322
flat angles C4'-P-C4' energy: -44.578
flat angles P-C4'-P energy: -18.876
tors. eta vs tors. theta energy: 10.307
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: 311
Temperature: 0.900000
Total energy: -950.616891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.616891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.616891 (E_RNA)
where:
Base-Base interactions energy: -667.575
where: short stacking energy: -255.034
Base-Backbone interact. energy: -0.943
local terms energy: -282.099197
where:
bonds (distance) C4'-P energy: -58.856
bonds (distance) P-C4' energy: -61.515
flat angles C4'-P-C4' energy: -53.176
flat angles P-C4'-P energy: -39.455
tors. eta vs tors. theta energy: -69.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -923.301481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.301481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.301481 (E_RNA)
where:
Base-Base interactions energy: -638.800
where: short stacking energy: -269.002
Base-Backbone interact. energy: -0.321
local terms energy: -284.180805
where:
bonds (distance) C4'-P energy: -56.119
bonds (distance) P-C4' energy: -45.256
flat angles C4'-P-C4' energy: -59.637
flat angles P-C4'-P energy: -44.135
tors. eta vs tors. theta energy: -79.034
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: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -872.625957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.625957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.625957 (E_RNA)
where:
Base-Base interactions energy: -602.474
where: short stacking energy: -250.211
Base-Backbone interact. energy: -2.483
local terms energy: -267.669670
where:
bonds (distance) C4'-P energy: -50.300
bonds (distance) P-C4' energy: -53.421
flat angles C4'-P-C4' energy: -49.055
flat angles P-C4'-P energy: -44.791
tors. eta vs tors. theta energy: -70.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -790.806085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.806085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.806085 (E_RNA)
where:
Base-Base interactions energy: -539.516
where: short stacking energy: -226.797
Base-Backbone interact. energy: 5.450
local terms energy: -256.740613
where:
bonds (distance) C4'-P energy: -45.606
bonds (distance) P-C4' energy: -51.169
flat angles C4'-P-C4' energy: -55.048
flat angles P-C4'-P energy: -42.708
tors. eta vs tors. theta energy: -62.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -790.570427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.570427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.570427 (E_RNA)
where:
Base-Base interactions energy: -551.464
where: short stacking energy: -229.841
Base-Backbone interact. energy: -1.327
local terms energy: -237.779054
where:
bonds (distance) C4'-P energy: -46.054
bonds (distance) P-C4' energy: -41.784
flat angles C4'-P-C4' energy: -50.776
flat angles P-C4'-P energy: -37.390
tors. eta vs tors. theta energy: -61.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -753.324459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.324459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.324459 (E_RNA)
where:
Base-Base interactions energy: -523.125
where: short stacking energy: -218.385
Base-Backbone interact. energy: -0.278
local terms energy: -229.922331
where:
bonds (distance) C4'-P energy: -38.771
bonds (distance) P-C4' energy: -48.984
flat angles C4'-P-C4' energy: -54.344
flat angles P-C4'-P energy: -34.103
tors. eta vs tors. theta energy: -53.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -613.304488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.304488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.304488 (E_RNA)
where:
Base-Base interactions energy: -402.048
where: short stacking energy: -197.660
Base-Backbone interact. energy: 1.015
local terms energy: -212.271014
where:
bonds (distance) C4'-P energy: -33.718
bonds (distance) P-C4' energy: -44.178
flat angles C4'-P-C4' energy: -51.999
flat angles P-C4'-P energy: -29.529
tors. eta vs tors. theta energy: -52.847
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: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -401.737639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.737639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.737639 (E_RNA)
where:
Base-Base interactions energy: -189.060
where: short stacking energy: -105.111
Base-Backbone interact. energy: -0.874
local terms energy: -211.804009
where:
bonds (distance) C4'-P energy: -48.607
bonds (distance) P-C4' energy: -48.300
flat angles C4'-P-C4' energy: -53.627
flat angles P-C4'-P energy: -41.495
tors. eta vs tors. theta energy: -19.774
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: 311
Temperature: 1.300000
Total energy: -281.507044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.507044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.507044 (E_RNA)
where:
Base-Base interactions energy: -119.807
where: short stacking energy: -88.611
Base-Backbone interact. energy: 0.328
local terms energy: -162.027959
where:
bonds (distance) C4'-P energy: -35.302
bonds (distance) P-C4' energy: -44.078
flat angles C4'-P-C4' energy: -54.257
flat angles P-C4'-P energy: -22.066
tors. eta vs tors. theta energy: -6.324
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: 10, replica: 8
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -237.725621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.725621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.725621 (E_RNA)
where:
Base-Base interactions energy: -77.261
where: short stacking energy: -73.640
Base-Backbone interact. energy: 1.554
local terms energy: -162.018721
where:
bonds (distance) C4'-P energy: -39.879
bonds (distance) P-C4' energy: -54.302
flat angles C4'-P-C4' energy: -40.656
flat angles P-C4'-P energy: -18.532
tors. eta vs tors. theta energy: -8.650
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: 1, replica: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -944.560180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.560180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.560180 (E_RNA)
where:
Base-Base interactions energy: -650.120
where: short stacking energy: -284.825
Base-Backbone interact. energy: -1.260
local terms energy: -293.180462
where:
bonds (distance) C4'-P energy: -51.435
bonds (distance) P-C4' energy: -55.884
flat angles C4'-P-C4' energy: -60.493
flat angles P-C4'-P energy: -38.631
tors. eta vs tors. theta energy: -86.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -907.344450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.344450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.344450 (E_RNA)
where:
Base-Base interactions energy: -642.095
where: short stacking energy: -233.334
Base-Backbone interact. energy: 1.150
local terms energy: -266.400085
where:
bonds (distance) C4'-P energy: -49.863
bonds (distance) P-C4' energy: -57.107
flat angles C4'-P-C4' energy: -57.126
flat angles P-C4'-P energy: -36.988
tors. eta vs tors. theta energy: -65.316
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: 312
Temperature: 1.000000
Total energy: -883.680806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.680806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.680806 (E_RNA)
where:
Base-Base interactions energy: -612.581
where: short stacking energy: -254.405
Base-Backbone interact. energy: -1.430
local terms energy: -269.669359
where:
bonds (distance) C4'-P energy: -50.488
bonds (distance) P-C4' energy: -49.151
flat angles C4'-P-C4' energy: -60.876
flat angles P-C4'-P energy: -33.302
tors. eta vs tors. theta energy: -75.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -807.049395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.049395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.049395 (E_RNA)
where:
Base-Base interactions energy: -551.288
where: short stacking energy: -235.615
Base-Backbone interact. energy: -0.611
local terms energy: -255.150825
where:
bonds (distance) C4'-P energy: -41.366
bonds (distance) P-C4' energy: -52.818
flat angles C4'-P-C4' energy: -55.139
flat angles P-C4'-P energy: -39.560
tors. eta vs tors. theta energy: -66.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -774.454575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.454575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.454575 (E_RNA)
where:
Base-Base interactions energy: -534.003
where: short stacking energy: -220.218
Base-Backbone interact. energy: -1.049
local terms energy: -239.403090
where:
bonds (distance) C4'-P energy: -51.133
bonds (distance) P-C4' energy: -51.713
flat angles C4'-P-C4' energy: -49.247
flat angles P-C4'-P energy: -32.078
tors. eta vs tors. theta energy: -55.232
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: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -779.433945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.433945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.433945 (E_RNA)
where:
Base-Base interactions energy: -521.539
where: short stacking energy: -221.901
Base-Backbone interact. energy: -1.518
local terms energy: -256.377616
where:
bonds (distance) C4'-P energy: -56.177
bonds (distance) P-C4' energy: -54.964
flat angles C4'-P-C4' energy: -51.435
flat angles P-C4'-P energy: -23.223
tors. eta vs tors. theta energy: -70.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -639.957044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.957044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.957044 (E_RNA)
where:
Base-Base interactions energy: -434.958
where: short stacking energy: -187.798
Base-Backbone interact. energy: 0.073
local terms energy: -205.072236
where:
bonds (distance) C4'-P energy: -45.707
bonds (distance) P-C4' energy: -38.055
flat angles C4'-P-C4' energy: -42.976
flat angles P-C4'-P energy: -30.778
tors. eta vs tors. theta energy: -47.556
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: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -407.242807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.242807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.242807 (E_RNA)
where:
Base-Base interactions energy: -224.027
where: short stacking energy: -129.322
Base-Backbone interact. energy: -0.248
local terms energy: -182.968057
where:
bonds (distance) C4'-P energy: -40.774
bonds (distance) P-C4' energy: -39.164
flat angles C4'-P-C4' energy: -43.730
flat angles P-C4'-P energy: -30.963
tors. eta vs tors. theta energy: -28.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -265.410662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.410662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.410662 (E_RNA)
where:
Base-Base interactions energy: -102.619
where: short stacking energy: -82.950
Base-Backbone interact. energy: 3.222
local terms energy: -166.013729
where:
bonds (distance) C4'-P energy: -28.573
bonds (distance) P-C4' energy: -53.026
flat angles C4'-P-C4' energy: -44.782
flat angles P-C4'-P energy: -24.555
tors. eta vs tors. theta energy: -15.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -217.276353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.276353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.276353 (E_RNA)
where:
Base-Base interactions energy: -59.687
where: short stacking energy: -56.854
Base-Backbone interact. energy: 0.106
local terms energy: -157.695962
where:
bonds (distance) C4'-P energy: -34.497
bonds (distance) P-C4' energy: -54.344
flat angles C4'-P-C4' energy: -40.597
flat angles P-C4'-P energy: -25.180
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -933.516567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.516567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.516567 (E_RNA)
where:
Base-Base interactions energy: -640.674
where: short stacking energy: -272.595
Base-Backbone interact. energy: -0.052
local terms energy: -292.790251
where:
bonds (distance) C4'-P energy: -50.797
bonds (distance) P-C4' energy: -49.934
flat angles C4'-P-C4' energy: -63.841
flat angles P-C4'-P energy: -42.853
tors. eta vs tors. theta energy: -85.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -909.321352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.321352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.321352 (E_RNA)
where:
Base-Base interactions energy: -641.131
where: short stacking energy: -261.510
Base-Backbone interact. energy: -0.674
local terms energy: -267.516140
where:
bonds (distance) C4'-P energy: -47.234
bonds (distance) P-C4' energy: -51.698
flat angles C4'-P-C4' energy: -53.773
flat angles P-C4'-P energy: -40.193
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: 3, replica: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -885.272124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.272124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.272124 (E_RNA)
where:
Base-Base interactions energy: -631.819
where: short stacking energy: -246.553
Base-Backbone interact. energy: -0.523
local terms energy: -252.929850
where:
bonds (distance) C4'-P energy: -45.699
bonds (distance) P-C4' energy: -44.480
flat angles C4'-P-C4' energy: -57.693
flat angles P-C4'-P energy: -34.437
tors. eta vs tors. theta energy: -70.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -798.173362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.173362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.173362 (E_RNA)
where:
Base-Base interactions energy: -550.874
where: short stacking energy: -243.103
Base-Backbone interact. energy: -0.486
local terms energy: -246.813153
where:
bonds (distance) C4'-P energy: -49.813
bonds (distance) P-C4' energy: -45.925
flat angles C4'-P-C4' energy: -53.195
flat angles P-C4'-P energy: -36.096
tors. eta vs tors. theta energy: -61.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -801.712483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.712483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.712483 (E_RNA)
where:
Base-Base interactions energy: -539.161
where: short stacking energy: -227.726
Base-Backbone interact. energy: -1.364
local terms energy: -261.187626
where:
bonds (distance) C4'-P energy: -45.484
bonds (distance) P-C4' energy: -49.823
flat angles C4'-P-C4' energy: -56.796
flat angles P-C4'-P energy: -39.062
tors. eta vs tors. theta energy: -70.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -781.207457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.207457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.207457 (E_RNA)
where:
Base-Base interactions energy: -508.683
where: short stacking energy: -226.728
Base-Backbone interact. energy: 1.769
local terms energy: -274.294113
where:
bonds (distance) C4'-P energy: -47.321
bonds (distance) P-C4' energy: -56.284
flat angles C4'-P-C4' energy: -59.053
flat angles P-C4'-P energy: -42.365
tors. eta vs tors. theta energy: -69.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -635.469478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.469478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.469478 (E_RNA)
where:
Base-Base interactions energy: -407.861
where: short stacking energy: -188.986
Base-Backbone interact. energy: -0.233
local terms energy: -227.375137
where:
bonds (distance) C4'-P energy: -39.717
bonds (distance) P-C4' energy: -50.112
flat angles C4'-P-C4' energy: -57.422
flat angles P-C4'-P energy: -32.525
tors. eta vs tors. theta energy: -47.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -385.099839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.099839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.099839 (E_RNA)
where:
Base-Base interactions energy: -206.308
where: short stacking energy: -108.467
Base-Backbone interact. energy: 0.412
local terms energy: -179.204096
where:
bonds (distance) C4'-P energy: -45.448
bonds (distance) P-C4' energy: -48.581
flat angles C4'-P-C4' energy: -37.843
flat angles P-C4'-P energy: -35.017
tors. eta vs tors. theta energy: -12.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -248.543064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.543064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.543064 (E_RNA)
where:
Base-Base interactions energy: -90.079
where: short stacking energy: -82.412
Base-Backbone interact. energy: 1.272
local terms energy: -159.735685
where:
bonds (distance) C4'-P energy: -42.885
bonds (distance) P-C4' energy: -43.411
flat angles C4'-P-C4' energy: -41.588
flat angles P-C4'-P energy: -24.687
tors. eta vs tors. theta energy: -7.164
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: 313
Temperature: 1.350000
Total energy: -232.219933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.219933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.219933 (E_RNA)
where:
Base-Base interactions energy: -86.780
where: short stacking energy: -83.105
Base-Backbone interact. energy: -0.841
local terms energy: -144.599402
where:
bonds (distance) C4'-P energy: -32.526
bonds (distance) P-C4' energy: -44.895
flat angles C4'-P-C4' energy: -34.477
flat angles P-C4'-P energy: -23.669
tors. eta vs tors. theta energy: -9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -937.975836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.975836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.975836 (E_RNA)
where:
Base-Base interactions energy: -643.675
where: short stacking energy: -274.752
Base-Backbone interact. energy: 1.117
local terms energy: -295.418182
where:
bonds (distance) C4'-P energy: -52.654
bonds (distance) P-C4' energy: -50.633
flat angles C4'-P-C4' energy: -58.905
flat angles P-C4'-P energy: -47.370
tors. eta vs tors. theta energy: -85.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -906.318852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.318852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.318852 (E_RNA)
where:
Base-Base interactions energy: -612.069
where: short stacking energy: -254.915
Base-Backbone interact. energy: -0.943
local terms energy: -293.306743
where:
bonds (distance) C4'-P energy: -56.048
bonds (distance) P-C4' energy: -59.030
flat angles C4'-P-C4' energy: -58.900
flat angles P-C4'-P energy: -41.848
tors. eta vs tors. theta energy: -77.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -896.344703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.344703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.344703 (E_RNA)
where:
Base-Base interactions energy: -636.702
where: short stacking energy: -252.071
Base-Backbone interact. energy: 0.377
local terms energy: -260.019998
where:
bonds (distance) C4'-P energy: -56.406
bonds (distance) P-C4' energy: -44.058
flat angles C4'-P-C4' energy: -53.254
flat angles P-C4'-P energy: -30.888
tors. eta vs tors. theta energy: -75.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -772.821980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.821980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.821980 (E_RNA)
where:
Base-Base interactions energy: -537.009
where: short stacking energy: -214.848
Base-Backbone interact. energy: -1.043
local terms energy: -234.769760
where:
bonds (distance) C4'-P energy: -56.630
bonds (distance) P-C4' energy: -52.332
flat angles C4'-P-C4' energy: -47.148
flat angles P-C4'-P energy: -26.366
tors. eta vs tors. theta energy: -52.294
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: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -763.744061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.744061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.744061 (E_RNA)
where:
Base-Base interactions energy: -500.513
where: short stacking energy: -232.522
Base-Backbone interact. energy: 2.462
local terms energy: -265.692810
where:
bonds (distance) C4'-P energy: -55.246
bonds (distance) P-C4' energy: -46.981
flat angles C4'-P-C4' energy: -51.580
flat angles P-C4'-P energy: -44.302
tors. eta vs tors. theta energy: -67.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -779.067611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.067611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.067611 (E_RNA)
where:
Base-Base interactions energy: -541.174
where: short stacking energy: -213.104
Base-Backbone interact. energy: -1.501
local terms energy: -236.391784
where:
bonds (distance) C4'-P energy: -51.477
bonds (distance) P-C4' energy: -46.168
flat angles C4'-P-C4' energy: -49.397
flat angles P-C4'-P energy: -33.413
tors. eta vs tors. theta energy: -55.937
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: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -571.893435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.893435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.893435 (E_RNA)
where:
Base-Base interactions energy: -372.107
where: short stacking energy: -158.616
Base-Backbone interact. energy: -1.800
local terms energy: -197.986792
where:
bonds (distance) C4'-P energy: -52.165
bonds (distance) P-C4' energy: -31.629
flat angles C4'-P-C4' energy: -47.620
flat angles P-C4'-P energy: -33.688
tors. eta vs tors. theta energy: -32.885
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: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -403.631721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.631721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.631721 (E_RNA)
where:
Base-Base interactions energy: -222.259
where: short stacking energy: -99.209
Base-Backbone interact. energy: 0.853
local terms energy: -182.225338
where:
bonds (distance) C4'-P energy: -42.413
bonds (distance) P-C4' energy: -46.617
flat angles C4'-P-C4' energy: -38.026
flat angles P-C4'-P energy: -41.593
tors. eta vs tors. theta energy: -13.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -258.436535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.436535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.436535 (E_RNA)
where:
Base-Base interactions energy: -89.760
where: short stacking energy: -73.565
Base-Backbone interact. energy: -0.897
local terms energy: -167.779083
where:
bonds (distance) C4'-P energy: -42.546
bonds (distance) P-C4' energy: -51.878
flat angles C4'-P-C4' energy: -40.254
flat angles P-C4'-P energy: -31.375
tors. eta vs tors. theta energy: -1.727
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: 10, replica: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -248.821439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.821439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.821439 (E_RNA)
where:
Base-Base interactions energy: -86.605
where: short stacking energy: -77.606
Base-Backbone interact. energy: 0.223
local terms energy: -162.439130
where:
bonds (distance) C4'-P energy: -37.969
bonds (distance) P-C4' energy: -44.246
flat angles C4'-P-C4' energy: -39.868
flat angles P-C4'-P energy: -24.126
tors. eta vs tors. theta energy: -16.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -933.045725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.045725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.045725 (E_RNA)
where:
Base-Base interactions energy: -638.805
where: short stacking energy: -267.006
Base-Backbone interact. energy: -0.314
local terms energy: -293.927044
where:
bonds (distance) C4'-P energy: -56.850
bonds (distance) P-C4' energy: -55.277
flat angles C4'-P-C4' energy: -53.705
flat angles P-C4'-P energy: -44.619
tors. eta vs tors. theta energy: -83.475
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: 5
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -911.963607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.963607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.963607 (E_RNA)
where:
Base-Base interactions energy: -634.995
where: short stacking energy: -266.799
Base-Backbone interact. energy: -1.798
local terms energy: -275.170500
where:
bonds (distance) C4'-P energy: -48.494
bonds (distance) P-C4' energy: -53.307
flat angles C4'-P-C4' energy: -63.856
flat angles P-C4'-P energy: -33.696
tors. eta vs tors. theta energy: -75.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -898.004041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.004041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.004041 (E_RNA)
where:
Base-Base interactions energy: -619.610
where: short stacking energy: -243.913
Base-Backbone interact. energy: -1.298
local terms energy: -277.095957
where:
bonds (distance) C4'-P energy: -59.804
bonds (distance) P-C4' energy: -49.767
flat angles C4'-P-C4' energy: -57.845
flat angles P-C4'-P energy: -37.087
tors. eta vs tors. theta energy: -72.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -786.548177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.548177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.548177 (E_RNA)
where:
Base-Base interactions energy: -552.419
where: short stacking energy: -243.527
Base-Backbone interact. energy: -0.959
local terms energy: -233.170061
where:
bonds (distance) C4'-P energy: -37.662
bonds (distance) P-C4' energy: -53.963
flat angles C4'-P-C4' energy: -59.244
flat angles P-C4'-P energy: -27.133
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: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -787.066592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.066592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.066592 (E_RNA)
where:
Base-Base interactions energy: -548.016
where: short stacking energy: -228.071
Base-Backbone interact. energy: 4.569
local terms energy: -243.620433
where:
bonds (distance) C4'-P energy: -41.882
bonds (distance) P-C4' energy: -49.987
flat angles C4'-P-C4' energy: -51.324
flat angles P-C4'-P energy: -29.767
tors. eta vs tors. theta energy: -70.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -784.652614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.652614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.652614 (E_RNA)
where:
Base-Base interactions energy: -549.036
where: short stacking energy: -201.814
Base-Backbone interact. energy: -2.668
local terms energy: -232.948395
where:
bonds (distance) C4'-P energy: -42.923
bonds (distance) P-C4' energy: -38.443
flat angles C4'-P-C4' energy: -57.624
flat angles P-C4'-P energy: -41.652
tors. eta vs tors. theta energy: -52.307
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: 7
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -599.452335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.452335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.452335 (E_RNA)
where:
Base-Base interactions energy: -390.876
where: short stacking energy: -192.095
Base-Backbone interact. energy: -1.441
local terms energy: -207.135148
where:
bonds (distance) C4'-P energy: -44.780
bonds (distance) P-C4' energy: -43.477
flat angles C4'-P-C4' energy: -51.970
flat angles P-C4'-P energy: -21.556
tors. eta vs tors. theta energy: -45.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -424.820062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.820062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.820062 (E_RNA)
where:
Base-Base interactions energy: -244.775
where: short stacking energy: -132.773
Base-Backbone interact. energy: -0.506
local terms energy: -179.538408
where:
bonds (distance) C4'-P energy: -41.745
bonds (distance) P-C4' energy: -47.035
flat angles C4'-P-C4' energy: -39.170
flat angles P-C4'-P energy: -27.483
tors. eta vs tors. theta energy: -24.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -268.388890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.388890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.388890 (E_RNA)
where:
Base-Base interactions energy: -99.803
where: short stacking energy: -87.723
Base-Backbone interact. energy: -0.395
local terms energy: -168.191371
where:
bonds (distance) C4'-P energy: -44.142
bonds (distance) P-C4' energy: -50.243
flat angles C4'-P-C4' energy: -38.717
flat angles P-C4'-P energy: -25.070
tors. eta vs tors. theta energy: -10.020
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: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -263.562081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.562081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.562081 (E_RNA)
where:
Base-Base interactions energy: -120.152
where: short stacking energy: -71.179
Base-Backbone interact. energy: -1.255
local terms energy: -142.155175
where:
bonds (distance) C4'-P energy: -31.547
bonds (distance) P-C4' energy: -48.177
flat angles C4'-P-C4' energy: -36.072
flat angles P-C4'-P energy: -30.791
tors. eta vs tors. theta energy: 4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -950.210995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.210995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.210995 (E_RNA)
where:
Base-Base interactions energy: -655.917
where: short stacking energy: -277.580
Base-Backbone interact. energy: -1.387
local terms energy: -292.907944
where:
bonds (distance) C4'-P energy: -50.928
bonds (distance) P-C4' energy: -58.332
flat angles C4'-P-C4' energy: -59.727
flat angles P-C4'-P energy: -40.475
tors. eta vs tors. theta energy: -83.446
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: 5
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -917.385039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.385039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.385039 (E_RNA)
where:
Base-Base interactions energy: -638.481
where: short stacking energy: -259.461
Base-Backbone interact. energy: -0.466
local terms energy: -278.437904
where:
bonds (distance) C4'-P energy: -52.968
bonds (distance) P-C4' energy: -52.045
flat angles C4'-P-C4' energy: -50.511
flat angles P-C4'-P energy: -42.188
tors. eta vs tors. theta energy: -80.726
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: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -897.030440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.030440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.030440 (E_RNA)
where:
Base-Base interactions energy: -634.804
where: short stacking energy: -234.447
Base-Backbone interact. energy: -2.588
local terms energy: -259.637928
where:
bonds (distance) C4'-P energy: -44.294
bonds (distance) P-C4' energy: -56.766
flat angles C4'-P-C4' energy: -53.186
flat angles P-C4'-P energy: -33.359
tors. eta vs tors. theta energy: -72.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -798.654611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.654611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.654611 (E_RNA)
where:
Base-Base interactions energy: -560.517
where: short stacking energy: -244.056
Base-Backbone interact. energy: -0.922
local terms energy: -237.215735
where:
bonds (distance) C4'-P energy: -39.833
bonds (distance) P-C4' energy: -58.183
flat angles C4'-P-C4' energy: -50.570
flat angles P-C4'-P energy: -25.748
tors. eta vs tors. theta energy: -62.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -810.573753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.573753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.573753 (E_RNA)
where:
Base-Base interactions energy: -536.973
where: short stacking energy: -224.252
Base-Backbone interact. energy: -1.663
local terms energy: -271.937246
where:
bonds (distance) C4'-P energy: -51.119
bonds (distance) P-C4' energy: -48.022
flat angles C4'-P-C4' energy: -55.108
flat angles P-C4'-P energy: -42.705
tors. eta vs tors. theta energy: -74.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -782.673362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.673362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.673362 (E_RNA)
where:
Base-Base interactions energy: -552.712
where: short stacking energy: -200.830
Base-Backbone interact. energy: 1.938
local terms energy: -231.898891
where:
bonds (distance) C4'-P energy: -52.003
bonds (distance) P-C4' energy: -45.090
flat angles C4'-P-C4' energy: -46.804
flat angles P-C4'-P energy: -28.779
tors. eta vs tors. theta energy: -59.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -557.608038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.608038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.608038 (E_RNA)
where:
Base-Base interactions energy: -346.402
where: short stacking energy: -147.430
Base-Backbone interact. energy: -1.101
local terms energy: -210.104959
where:
bonds (distance) C4'-P energy: -39.096
bonds (distance) P-C4' energy: -51.139
flat angles C4'-P-C4' energy: -49.318
flat angles P-C4'-P energy: -34.463
tors. eta vs tors. theta energy: -36.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -422.692920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.692920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.692920 (E_RNA)
where:
Base-Base interactions energy: -247.708
where: short stacking energy: -123.473
Base-Backbone interact. energy: -1.004
local terms energy: -173.981295
where:
bonds (distance) C4'-P energy: -38.343
bonds (distance) P-C4' energy: -49.104
flat angles C4'-P-C4' energy: -33.740
flat angles P-C4'-P energy: -33.704
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -310.158137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.158137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.158137 (E_RNA)
where:
Base-Base interactions energy: -150.021
where: short stacking energy: -88.859
Base-Backbone interact. energy: 2.587
local terms energy: -162.724489
where:
bonds (distance) C4'-P energy: -34.993
bonds (distance) P-C4' energy: -47.466
flat angles C4'-P-C4' energy: -44.281
flat angles P-C4'-P energy: -29.385
tors. eta vs tors. theta energy: -6.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -229.162608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.162608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.162608 (E_RNA)
where:
Base-Base interactions energy: -68.956
where: short stacking energy: -63.460
Base-Backbone interact. energy: -0.605
local terms energy: -159.601847
where:
bonds (distance) C4'-P energy: -41.752
bonds (distance) P-C4' energy: -52.556
flat angles C4'-P-C4' energy: -36.696
flat angles P-C4'-P energy: -26.111
tors. eta vs tors. theta energy: -2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -969.633885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.633885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.633885 (E_RNA)
where:
Base-Base interactions energy: -673.919
where: short stacking energy: -282.761
Base-Backbone interact. energy: -1.699
local terms energy: -294.015354
where:
bonds (distance) C4'-P energy: -55.367
bonds (distance) P-C4' energy: -53.688
flat angles C4'-P-C4' energy: -61.210
flat angles P-C4'-P energy: -43.643
tors. eta vs tors. theta energy: -80.108
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: 317
Temperature: 0.950000
Total energy: -901.389157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.389157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.389157 (E_RNA)
where:
Base-Base interactions energy: -626.745
where: short stacking energy: -263.282
Base-Backbone interact. energy: -1.456
local terms energy: -273.187851
where:
bonds (distance) C4'-P energy: -50.355
bonds (distance) P-C4' energy: -53.099
flat angles C4'-P-C4' energy: -53.846
flat angles P-C4'-P energy: -36.898
tors. eta vs tors. theta energy: -78.989
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: 317
Temperature: 1.000000
Total energy: -877.289186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.289186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.289186 (E_RNA)
where:
Base-Base interactions energy: -635.993
where: short stacking energy: -245.957
Base-Backbone interact. energy: -1.029
local terms energy: -240.267276
where:
bonds (distance) C4'-P energy: -36.878
bonds (distance) P-C4' energy: -50.968
flat angles C4'-P-C4' energy: -59.375
flat angles P-C4'-P energy: -27.224
tors. eta vs tors. theta energy: -65.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -801.416166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.416166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.416166 (E_RNA)
where:
Base-Base interactions energy: -554.092
where: short stacking energy: -257.539
Base-Backbone interact. energy: -0.236
local terms energy: -247.088150
where:
bonds (distance) C4'-P energy: -38.047
bonds (distance) P-C4' energy: -53.127
flat angles C4'-P-C4' energy: -50.906
flat angles P-C4'-P energy: -36.413
tors. eta vs tors. theta energy: -68.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -811.586242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.586242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.586242 (E_RNA)
where:
Base-Base interactions energy: -557.804
where: short stacking energy: -228.229
Base-Backbone interact. energy: -0.676
local terms energy: -253.106173
where:
bonds (distance) C4'-P energy: -54.001
bonds (distance) P-C4' energy: -41.643
flat angles C4'-P-C4' energy: -54.924
flat angles P-C4'-P energy: -31.822
tors. eta vs tors. theta energy: -70.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -797.958309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.958309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.958309 (E_RNA)
where:
Base-Base interactions energy: -565.968
where: short stacking energy: -209.277
Base-Backbone interact. energy: -1.689
local terms energy: -230.301031
where:
bonds (distance) C4'-P energy: -43.050
bonds (distance) P-C4' energy: -48.581
flat angles C4'-P-C4' energy: -47.976
flat angles P-C4'-P energy: -37.213
tors. eta vs tors. theta energy: -53.481
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: 7
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -607.354968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.354968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.354968 (E_RNA)
where:
Base-Base interactions energy: -386.392
where: short stacking energy: -180.380
Base-Backbone interact. energy: -0.397
local terms energy: -220.565593
where:
bonds (distance) C4'-P energy: -37.676
bonds (distance) P-C4' energy: -50.199
flat angles C4'-P-C4' energy: -50.115
flat angles P-C4'-P energy: -34.634
tors. eta vs tors. theta energy: -47.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -435.301517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.301517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.301517 (E_RNA)
where:
Base-Base interactions energy: -249.327
where: short stacking energy: -118.357
Base-Backbone interact. energy: -1.254
local terms energy: -184.720071
where:
bonds (distance) C4'-P energy: -56.437
bonds (distance) P-C4' energy: -44.450
flat angles C4'-P-C4' energy: -34.482
flat angles P-C4'-P energy: -24.595
tors. eta vs tors. theta energy: -24.757
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: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -314.022109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.022109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.022109 (E_RNA)
where:
Base-Base interactions energy: -150.017
where: short stacking energy: -99.237
Base-Backbone interact. energy: -0.807
local terms energy: -163.198783
where:
bonds (distance) C4'-P energy: -44.413
bonds (distance) P-C4' energy: -42.455
flat angles C4'-P-C4' energy: -37.636
flat angles P-C4'-P energy: -27.686
tors. eta vs tors. theta energy: -11.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -283.914630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.914630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.914630 (E_RNA)
where:
Base-Base interactions energy: -119.727
where: short stacking energy: -79.012
Base-Backbone interact. energy: 1.539
local terms energy: -165.726374
where:
bonds (distance) C4'-P energy: -38.632
bonds (distance) P-C4' energy: -52.996
flat angles C4'-P-C4' energy: -42.159
flat angles P-C4'-P energy: -25.894
tors. eta vs tors. theta energy: -6.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -967.934583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.934583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.934583 (E_RNA)
where:
Base-Base interactions energy: -665.608
where: short stacking energy: -289.398
Base-Backbone interact. energy: -2.579
local terms energy: -299.747735
where:
bonds (distance) C4'-P energy: -58.282
bonds (distance) P-C4' energy: -53.753
flat angles C4'-P-C4' energy: -59.879
flat angles P-C4'-P energy: -43.734
tors. eta vs tors. theta energy: -84.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -911.460925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.460925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.460925 (E_RNA)
where:
Base-Base interactions energy: -633.237
where: short stacking energy: -265.360
Base-Backbone interact. energy: -3.627
local terms energy: -274.597623
where:
bonds (distance) C4'-P energy: -46.547
bonds (distance) P-C4' energy: -58.738
flat angles C4'-P-C4' energy: -58.813
flat angles P-C4'-P energy: -31.932
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: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -893.892331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.892331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.892331 (E_RNA)
where:
Base-Base interactions energy: -635.165
where: short stacking energy: -245.735
Base-Backbone interact. energy: -0.064
local terms energy: -258.663710
where:
bonds (distance) C4'-P energy: -44.637
bonds (distance) P-C4' energy: -43.396
flat angles C4'-P-C4' energy: -60.256
flat angles P-C4'-P energy: -47.010
tors. eta vs tors. theta energy: -63.365
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: 10
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -803.749156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.749156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.749156 (E_RNA)
where:
Base-Base interactions energy: -557.254
where: short stacking energy: -236.833
Base-Backbone interact. energy: -0.840
local terms energy: -245.655189
where:
bonds (distance) C4'-P energy: -48.211
bonds (distance) P-C4' energy: -56.004
flat angles C4'-P-C4' energy: -51.892
flat angles P-C4'-P energy: -36.210
tors. eta vs tors. theta energy: -53.338
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: 1
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -832.402502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.402502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.402502 (E_RNA)
where:
Base-Base interactions energy: -586.277
where: short stacking energy: -224.069
Base-Backbone interact. energy: -0.753
local terms energy: -245.372088
where:
bonds (distance) C4'-P energy: -51.724
bonds (distance) P-C4' energy: -48.445
flat angles C4'-P-C4' energy: -48.742
flat angles P-C4'-P energy: -36.087
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: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -782.158831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.158831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.158831 (E_RNA)
where:
Base-Base interactions energy: -520.883
where: short stacking energy: -216.873
Base-Backbone interact. energy: -0.861
local terms energy: -260.414283
where:
bonds (distance) C4'-P energy: -52.952
bonds (distance) P-C4' energy: -46.637
flat angles C4'-P-C4' energy: -58.141
flat angles P-C4'-P energy: -38.158
tors. eta vs tors. theta energy: -64.527
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: 318
Temperature: 1.200000
Total energy: -596.265625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.265625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.265625 (E_RNA)
where:
Base-Base interactions energy: -383.059
where: short stacking energy: -170.163
Base-Backbone interact. energy: 0.018
local terms energy: -213.223890
where:
bonds (distance) C4'-P energy: -49.377
bonds (distance) P-C4' energy: -32.002
flat angles C4'-P-C4' energy: -56.156
flat angles P-C4'-P energy: -35.394
tors. eta vs tors. theta energy: -40.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -418.065925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.065925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.065925 (E_RNA)
where:
Base-Base interactions energy: -217.509
where: short stacking energy: -112.243
Base-Backbone interact. energy: -1.040
local terms energy: -199.517168
where:
bonds (distance) C4'-P energy: -46.527
bonds (distance) P-C4' energy: -51.148
flat angles C4'-P-C4' energy: -55.152
flat angles P-C4'-P energy: -22.153
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: 9, replica: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -317.260526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.260526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.260526 (E_RNA)
where:
Base-Base interactions energy: -159.877
where: short stacking energy: -102.147
Base-Backbone interact. energy: -0.817
local terms energy: -156.566891
where:
bonds (distance) C4'-P energy: -38.578
bonds (distance) P-C4' energy: -45.044
flat angles C4'-P-C4' energy: -38.235
flat angles P-C4'-P energy: -23.981
tors. eta vs tors. theta energy: -10.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -224.389717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.389717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.389717 (E_RNA)
where:
Base-Base interactions energy: -79.949
where: short stacking energy: -56.295
Base-Backbone interact. energy: 2.935
local terms energy: -147.375525
where:
bonds (distance) C4'-P energy: -41.764
bonds (distance) P-C4' energy: -43.352
flat angles C4'-P-C4' energy: -41.156
flat angles P-C4'-P energy: -28.409
tors. eta vs tors. theta energy: 7.304
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: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -968.749494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.749494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.749494 (E_RNA)
where:
Base-Base interactions energy: -671.731
where: short stacking energy: -276.396
Base-Backbone interact. energy: -1.344
local terms energy: -295.674125
where:
bonds (distance) C4'-P energy: -53.347
bonds (distance) P-C4' energy: -57.363
flat angles C4'-P-C4' energy: -61.377
flat angles P-C4'-P energy: -39.827
tors. eta vs tors. theta energy: -83.760
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: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -911.241780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.241780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.241780 (E_RNA)
where:
Base-Base interactions energy: -633.962
where: short stacking energy: -256.900
Base-Backbone interact. energy: -0.513
local terms energy: -276.766692
where:
bonds (distance) C4'-P energy: -47.734
bonds (distance) P-C4' energy: -48.667
flat angles C4'-P-C4' energy: -58.351
flat angles P-C4'-P energy: -45.001
tors. eta vs tors. theta energy: -77.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -889.848777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.848777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.848777 (E_RNA)
where:
Base-Base interactions energy: -619.130
where: short stacking energy: -252.053
Base-Backbone interact. energy: 0.704
local terms energy: -271.422855
where:
bonds (distance) C4'-P energy: -55.209
bonds (distance) P-C4' energy: -52.571
flat angles C4'-P-C4' energy: -57.584
flat angles P-C4'-P energy: -39.271
tors. eta vs tors. theta energy: -66.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -828.014325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.014325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.014325 (E_RNA)
where:
Base-Base interactions energy: -577.648
where: short stacking energy: -240.247
Base-Backbone interact. energy: -1.695
local terms energy: -248.670912
where:
bonds (distance) C4'-P energy: -50.491
bonds (distance) P-C4' energy: -40.521
flat angles C4'-P-C4' energy: -56.332
flat angles P-C4'-P energy: -34.981
tors. eta vs tors. theta energy: -66.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -788.799113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.799113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.799113 (E_RNA)
where:
Base-Base interactions energy: -533.815
where: short stacking energy: -223.986
Base-Backbone interact. energy: -0.148
local terms energy: -254.836386
where:
bonds (distance) C4'-P energy: -51.639
bonds (distance) P-C4' energy: -45.707
flat angles C4'-P-C4' energy: -55.669
flat angles P-C4'-P energy: -36.467
tors. eta vs tors. theta energy: -65.354
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: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -807.485080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.485080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.485080 (E_RNA)
where:
Base-Base interactions energy: -548.953
where: short stacking energy: -237.709
Base-Backbone interact. energy: 0.155
local terms energy: -258.687493
where:
bonds (distance) C4'-P energy: -51.021
bonds (distance) P-C4' energy: -42.291
flat angles C4'-P-C4' energy: -54.487
flat angles P-C4'-P energy: -36.556
tors. eta vs tors. theta energy: -74.332
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: 319
Temperature: 1.200000
Total energy: -635.889136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.889136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.889136 (E_RNA)
where:
Base-Base interactions energy: -417.194
where: short stacking energy: -194.072
Base-Backbone interact. energy: -0.598
local terms energy: -218.096574
where:
bonds (distance) C4'-P energy: -47.399
bonds (distance) P-C4' energy: -46.827
flat angles C4'-P-C4' energy: -45.294
flat angles P-C4'-P energy: -32.586
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: 8, replica: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -360.146066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.146066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.146066 (E_RNA)
where:
Base-Base interactions energy: -170.197
where: short stacking energy: -93.345
Base-Backbone interact. energy: -1.086
local terms energy: -188.863394
where:
bonds (distance) C4'-P energy: -59.531
bonds (distance) P-C4' energy: -46.668
flat angles C4'-P-C4' energy: -44.632
flat angles P-C4'-P energy: -22.056
tors. eta vs tors. theta energy: -15.977
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: 4
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -380.772246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.772246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.772246 (E_RNA)
where:
Base-Base interactions energy: -200.694
where: short stacking energy: -102.627
Base-Backbone interact. energy: 0.271
local terms energy: -180.348997
where:
bonds (distance) C4'-P energy: -39.278
bonds (distance) P-C4' energy: -54.291
flat angles C4'-P-C4' energy: -48.800
flat angles P-C4'-P energy: -28.028
tors. eta vs tors. theta energy: -9.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -276.091271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.091271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.091271 (E_RNA)
where:
Base-Base interactions energy: -116.216
where: short stacking energy: -67.266
Base-Backbone interact. energy: 3.081
local terms energy: -162.956025
where:
bonds (distance) C4'-P energy: -39.359
bonds (distance) P-C4' energy: -46.894
flat angles C4'-P-C4' energy: -37.520
flat angles P-C4'-P energy: -38.681
tors. eta vs tors. theta energy: -0.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -953.756756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.756756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.756756 (E_RNA)
where:
Base-Base interactions energy: -660.980
where: short stacking energy: -289.177
Base-Backbone interact. energy: -2.393
local terms energy: -290.384349
where:
bonds (distance) C4'-P energy: -53.536
bonds (distance) P-C4' energy: -46.485
flat angles C4'-P-C4' energy: -60.857
flat angles P-C4'-P energy: -42.742
tors. eta vs tors. theta energy: -86.765
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: 320
Temperature: 0.950000
Total energy: -895.783477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.783477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.783477 (E_RNA)
where:
Base-Base interactions energy: -629.584
where: short stacking energy: -251.049
Base-Backbone interact. energy: -1.084
local terms energy: -265.114896
where:
bonds (distance) C4'-P energy: -48.713
bonds (distance) P-C4' energy: -53.080
flat angles C4'-P-C4' energy: -58.335
flat angles P-C4'-P energy: -38.229
tors. eta vs tors. theta energy: -66.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -890.003788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.003788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.003788 (E_RNA)
where:
Base-Base interactions energy: -626.773
where: short stacking energy: -254.564
Base-Backbone interact. energy: -0.935
local terms energy: -262.295898
where:
bonds (distance) C4'-P energy: -42.307
bonds (distance) P-C4' energy: -55.090
flat angles C4'-P-C4' energy: -53.675
flat angles P-C4'-P energy: -41.812
tors. eta vs tors. theta energy: -69.412
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: 1
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -837.771658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.771658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.771658 (E_RNA)
where:
Base-Base interactions energy: -584.956
where: short stacking energy: -225.635
Base-Backbone interact. energy: 1.409
local terms energy: -254.224483
where:
bonds (distance) C4'-P energy: -47.888
bonds (distance) P-C4' energy: -54.000
flat angles C4'-P-C4' energy: -47.289
flat angles P-C4'-P energy: -40.531
tors. eta vs tors. theta energy: -64.517
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: 5, replica: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -813.171824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.171824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.171824 (E_RNA)
where:
Base-Base interactions energy: -560.563
where: short stacking energy: -224.203
Base-Backbone interact. energy: -1.487
local terms energy: -251.122189
where:
bonds (distance) C4'-P energy: -45.157
bonds (distance) P-C4' energy: -44.016
flat angles C4'-P-C4' energy: -54.378
flat angles P-C4'-P energy: -38.957
tors. eta vs tors. theta energy: -68.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -748.712966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.712966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.712966 (E_RNA)
where:
Base-Base interactions energy: -516.316
where: short stacking energy: -223.607
Base-Backbone interact. energy: -0.256
local terms energy: -232.140399
where:
bonds (distance) C4'-P energy: -48.919
bonds (distance) P-C4' energy: -45.829
flat angles C4'-P-C4' energy: -56.471
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -63.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -600.006767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.006767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.006767 (E_RNA)
where:
Base-Base interactions energy: -401.343
where: short stacking energy: -188.037
Base-Backbone interact. energy: -0.471
local terms energy: -198.192912
where:
bonds (distance) C4'-P energy: -41.444
bonds (distance) P-C4' energy: -42.285
flat angles C4'-P-C4' energy: -41.382
flat angles P-C4'-P energy: -32.516
tors. eta vs tors. theta energy: -40.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -395.028501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.028501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.028501 (E_RNA)
where:
Base-Base interactions energy: -227.029
where: short stacking energy: -124.139
Base-Backbone interact. energy: -0.049
local terms energy: -167.950172
where:
bonds (distance) C4'-P energy: -29.114
bonds (distance) P-C4' energy: -47.145
flat angles C4'-P-C4' energy: -49.291
flat angles P-C4'-P energy: -26.102
tors. eta vs tors. theta energy: -16.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -284.211549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.211549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.211549 (E_RNA)
where:
Base-Base interactions energy: -131.158
where: short stacking energy: -86.633
Base-Backbone interact. energy: -0.854
local terms energy: -152.199825
where:
bonds (distance) C4'-P energy: -44.637
bonds (distance) P-C4' energy: -42.324
flat angles C4'-P-C4' energy: -49.452
flat angles P-C4'-P energy: -17.128
tors. eta vs tors. theta energy: 1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -367.934844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.934844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.934844 (E_RNA)
where:
Base-Base interactions energy: -190.378
where: short stacking energy: -96.449
Base-Backbone interact. energy: 2.802
local terms energy: -180.358450
where:
bonds (distance) C4'-P energy: -46.499
bonds (distance) P-C4' energy: -44.761
flat angles C4'-P-C4' energy: -46.368
flat angles P-C4'-P energy: -34.019
tors. eta vs tors. theta energy: -8.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -952.699386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.699386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.699386 (E_RNA)
where:
Base-Base interactions energy: -658.278
where: short stacking energy: -278.337
Base-Backbone interact. energy: -2.970
local terms energy: -291.451513
where:
bonds (distance) C4'-P energy: -49.426
bonds (distance) P-C4' energy: -55.417
flat angles C4'-P-C4' energy: -57.636
flat angles P-C4'-P energy: -43.772
tors. eta vs tors. theta energy: -85.202
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: 2
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -903.027802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.027802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.027802 (E_RNA)
where:
Base-Base interactions energy: -627.815
where: short stacking energy: -251.259
Base-Backbone interact. energy: -1.451
local terms energy: -273.761823
where:
bonds (distance) C4'-P energy: -52.684
bonds (distance) P-C4' energy: -55.239
flat angles C4'-P-C4' energy: -56.572
flat angles P-C4'-P energy: -34.592
tors. eta vs tors. theta energy: -74.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -879.070160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.070160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.070160 (E_RNA)
where:
Base-Base interactions energy: -614.679
where: short stacking energy: -251.439
Base-Backbone interact. energy: -1.654
local terms energy: -262.737590
where:
bonds (distance) C4'-P energy: -46.101
bonds (distance) P-C4' energy: -49.494
flat angles C4'-P-C4' energy: -56.573
flat angles P-C4'-P energy: -37.457
tors. eta vs tors. theta energy: -73.113
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: 1
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -832.605193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.605193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.605193 (E_RNA)
where:
Base-Base interactions energy: -555.610
where: short stacking energy: -221.054
Base-Backbone interact. energy: 3.120
local terms energy: -280.114688
where:
bonds (distance) C4'-P energy: -55.334
bonds (distance) P-C4' energy: -61.325
flat angles C4'-P-C4' energy: -60.283
flat angles P-C4'-P energy: -38.518
tors. eta vs tors. theta energy: -64.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -810.694837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.694837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.694837 (E_RNA)
where:
Base-Base interactions energy: -553.771
where: short stacking energy: -225.661
Base-Backbone interact. energy: -0.717
local terms energy: -256.206046
where:
bonds (distance) C4'-P energy: -43.015
bonds (distance) P-C4' energy: -53.435
flat angles C4'-P-C4' energy: -53.077
flat angles P-C4'-P energy: -35.612
tors. eta vs tors. theta energy: -71.066
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: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -749.265345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.265345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.265345 (E_RNA)
where:
Base-Base interactions energy: -513.747
where: short stacking energy: -230.608
Base-Backbone interact. energy: -0.683
local terms energy: -234.835293
where:
bonds (distance) C4'-P energy: -37.733
bonds (distance) P-C4' energy: -37.576
flat angles C4'-P-C4' energy: -51.600
flat angles P-C4'-P energy: -38.095
tors. eta vs tors. theta energy: -69.831
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: 321
Temperature: 1.200000
Total energy: -593.135509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.135509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.135509 (E_RNA)
where:
Base-Base interactions energy: -393.908
where: short stacking energy: -195.161
Base-Backbone interact. energy: 0.339
local terms energy: -199.565919
where:
bonds (distance) C4'-P energy: -44.171
bonds (distance) P-C4' energy: -53.731
flat angles C4'-P-C4' energy: -43.861
flat angles P-C4'-P energy: -16.654
tors. eta vs tors. theta energy: -41.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -410.245259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.245259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.245259 (E_RNA)
where:
Base-Base interactions energy: -237.155
where: short stacking energy: -114.265
Base-Backbone interact. energy: -0.767
local terms energy: -172.323125
where:
bonds (distance) C4'-P energy: -38.613
bonds (distance) P-C4' energy: -40.937
flat angles C4'-P-C4' energy: -45.901
flat angles P-C4'-P energy: -25.154
tors. eta vs tors. theta energy: -21.718
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: 321
Temperature: 1.300000
Total energy: -285.347343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.347343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.347343 (E_RNA)
where:
Base-Base interactions energy: -135.187
where: short stacking energy: -92.360
Base-Backbone interact. energy: -0.385
local terms energy: -149.774830
where:
bonds (distance) C4'-P energy: -43.436
bonds (distance) P-C4' energy: -44.943
flat angles C4'-P-C4' energy: -35.943
flat angles P-C4'-P energy: -26.733
tors. eta vs tors. theta energy: 1.280
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: 4
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -363.880940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.880940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.880940 (E_RNA)
where:
Base-Base interactions energy: -186.258
where: short stacking energy: -104.288
Base-Backbone interact. energy: -0.660
local terms energy: -176.963181
where:
bonds (distance) C4'-P energy: -45.664
bonds (distance) P-C4' energy: -51.485
flat angles C4'-P-C4' energy: -34.914
flat angles P-C4'-P energy: -29.867
tors. eta vs tors. theta energy: -15.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -956.764186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.764186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.764186 (E_RNA)
where:
Base-Base interactions energy: -663.502
where: short stacking energy: -287.855
Base-Backbone interact. energy: -0.829
local terms energy: -292.433424
where:
bonds (distance) C4'-P energy: -47.062
bonds (distance) P-C4' energy: -58.418
flat angles C4'-P-C4' energy: -58.202
flat angles P-C4'-P energy: -43.092
tors. eta vs tors. theta energy: -85.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -901.004643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.004643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.004643 (E_RNA)
where:
Base-Base interactions energy: -622.621
where: short stacking energy: -242.091
Base-Backbone interact. energy: -0.771
local terms energy: -277.612160
where:
bonds (distance) C4'-P energy: -59.745
bonds (distance) P-C4' energy: -52.500
flat angles C4'-P-C4' energy: -51.145
flat angles P-C4'-P energy: -44.838
tors. eta vs tors. theta energy: -69.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -884.071110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.071110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.071110 (E_RNA)
where:
Base-Base interactions energy: -605.222
where: short stacking energy: -242.017
Base-Backbone interact. energy: -1.864
local terms energy: -276.984817
where:
bonds (distance) C4'-P energy: -47.071
bonds (distance) P-C4' energy: -52.725
flat angles C4'-P-C4' energy: -66.167
flat angles P-C4'-P energy: -43.153
tors. eta vs tors. theta energy: -67.868
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: 1
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -851.215340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.215340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.215340 (E_RNA)
where:
Base-Base interactions energy: -602.532
where: short stacking energy: -237.111
Base-Backbone interact. energy: -1.084
local terms energy: -247.599147
where:
bonds (distance) C4'-P energy: -51.204
bonds (distance) P-C4' energy: -47.382
flat angles C4'-P-C4' energy: -49.116
flat angles P-C4'-P energy: -29.112
tors. eta vs tors. theta energy: -70.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -799.064156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.064156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.064156 (E_RNA)
where:
Base-Base interactions energy: -539.093
where: short stacking energy: -233.419
Base-Backbone interact. energy: -1.884
local terms energy: -258.087781
where:
bonds (distance) C4'-P energy: -52.195
bonds (distance) P-C4' energy: -48.353
flat angles C4'-P-C4' energy: -51.917
flat angles P-C4'-P energy: -36.881
tors. eta vs tors. theta energy: -68.742
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: 10
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -739.963650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.963650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.963650 (E_RNA)
where:
Base-Base interactions energy: -504.057
where: short stacking energy: -210.486
Base-Backbone interact. energy: -0.994
local terms energy: -234.912551
where:
bonds (distance) C4'-P energy: -47.396
bonds (distance) P-C4' energy: -44.108
flat angles C4'-P-C4' energy: -47.135
flat angles P-C4'-P energy: -38.791
tors. eta vs tors. theta energy: -57.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -580.972662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.972662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.972662 (E_RNA)
where:
Base-Base interactions energy: -369.451
where: short stacking energy: -157.163
Base-Backbone interact. energy: 0.469
local terms energy: -211.990656
where:
bonds (distance) C4'-P energy: -49.915
bonds (distance) P-C4' energy: -48.868
flat angles C4'-P-C4' energy: -46.985
flat angles P-C4'-P energy: -32.483
tors. eta vs tors. theta energy: -33.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -392.091165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.091165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.091165 (E_RNA)
where:
Base-Base interactions energy: -206.657
where: short stacking energy: -113.027
Base-Backbone interact. energy: 2.678
local terms energy: -188.112370
where:
bonds (distance) C4'-P energy: -39.388
bonds (distance) P-C4' energy: -45.865
flat angles C4'-P-C4' energy: -51.403
flat angles P-C4'-P energy: -28.348
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: 9, replica: 4
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -418.713897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.713897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.713897 (E_RNA)
where:
Base-Base interactions energy: -243.230
where: short stacking energy: -129.338
Base-Backbone interact. energy: 0.292
local terms energy: -175.775643
where:
bonds (distance) C4'-P energy: -42.348
bonds (distance) P-C4' energy: -46.159
flat angles C4'-P-C4' energy: -36.677
flat angles P-C4'-P energy: -24.544
tors. eta vs tors. theta energy: -26.048
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: 322
Temperature: 1.350000
Total energy: -230.909848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.909848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.909848 (E_RNA)
where:
Base-Base interactions energy: -97.302
where: short stacking energy: -66.812
Base-Backbone interact. energy: 2.468
local terms energy: -136.076065
where:
bonds (distance) C4'-P energy: -47.485
bonds (distance) P-C4' energy: -34.932
flat angles C4'-P-C4' energy: -41.255
flat angles P-C4'-P energy: -25.087
tors. eta vs tors. theta energy: 12.682
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: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -955.170797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.170797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.170797 (E_RNA)
where:
Base-Base interactions energy: -666.433
where: short stacking energy: -271.466
Base-Backbone interact. energy: 3.311
local terms energy: -292.048731
where:
bonds (distance) C4'-P energy: -49.742
bonds (distance) P-C4' energy: -57.136
flat angles C4'-P-C4' energy: -59.303
flat angles P-C4'-P energy: -42.540
tors. eta vs tors. theta energy: -83.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -903.150460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.150460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.150460 (E_RNA)
where:
Base-Base interactions energy: -640.779
where: short stacking energy: -250.548
Base-Backbone interact. energy: -0.927
local terms energy: -261.444254
where:
bonds (distance) C4'-P energy: -42.313
bonds (distance) P-C4' energy: -49.860
flat angles C4'-P-C4' energy: -51.736
flat angles P-C4'-P energy: -42.758
tors. eta vs tors. theta energy: -74.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -899.690239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.690239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.690239 (E_RNA)
where:
Base-Base interactions energy: -628.254
where: short stacking energy: -253.287
Base-Backbone interact. energy: -0.443
local terms energy: -270.993475
where:
bonds (distance) C4'-P energy: -48.215
bonds (distance) P-C4' energy: -45.910
flat angles C4'-P-C4' energy: -56.178
flat angles P-C4'-P energy: -47.248
tors. eta vs tors. theta energy: -73.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -844.984679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.984679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.984679 (E_RNA)
where:
Base-Base interactions energy: -587.375
where: short stacking energy: -235.407
Base-Backbone interact. energy: -1.520
local terms energy: -256.090227
where:
bonds (distance) C4'-P energy: -45.985
bonds (distance) P-C4' energy: -51.939
flat angles C4'-P-C4' energy: -50.254
flat angles P-C4'-P energy: -41.662
tors. eta vs tors. theta energy: -66.250
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: 5, replica: 6
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -789.522988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.522988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.522988 (E_RNA)
where:
Base-Base interactions energy: -521.673
where: short stacking energy: -212.631
Base-Backbone interact. energy: 4.026
local terms energy: -271.876520
where:
bonds (distance) C4'-P energy: -54.536
bonds (distance) P-C4' energy: -56.304
flat angles C4'-P-C4' energy: -51.601
flat angles P-C4'-P energy: -38.820
tors. eta vs tors. theta energy: -70.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -742.030339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.030339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.030339 (E_RNA)
where:
Base-Base interactions energy: -512.749
where: short stacking energy: -214.253
Base-Backbone interact. energy: -0.619
local terms energy: -228.661614
where:
bonds (distance) C4'-P energy: -43.287
bonds (distance) P-C4' energy: -52.167
flat angles C4'-P-C4' energy: -50.274
flat angles P-C4'-P energy: -30.952
tors. eta vs tors. theta energy: -51.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -550.370264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.370264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.370264 (E_RNA)
where:
Base-Base interactions energy: -355.094
where: short stacking energy: -150.744
Base-Backbone interact. energy: -1.164
local terms energy: -194.112193
where:
bonds (distance) C4'-P energy: -43.214
bonds (distance) P-C4' energy: -44.971
flat angles C4'-P-C4' energy: -49.541
flat angles P-C4'-P energy: -27.725
tors. eta vs tors. theta energy: -28.660
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: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -426.122433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.122433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.122433 (E_RNA)
where:
Base-Base interactions energy: -215.691
where: short stacking energy: -117.672
Base-Backbone interact. energy: -0.597
local terms energy: -209.834794
where:
bonds (distance) C4'-P energy: -54.564
bonds (distance) P-C4' energy: -56.371
flat angles C4'-P-C4' energy: -52.570
flat angles P-C4'-P energy: -26.939
tors. eta vs tors. theta energy: -19.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -324.611237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.611237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.611237 (E_RNA)
where:
Base-Base interactions energy: -154.798
where: short stacking energy: -81.922
Base-Backbone interact. energy: 3.620
local terms energy: -173.432989
where:
bonds (distance) C4'-P energy: -43.802
bonds (distance) P-C4' energy: -48.436
flat angles C4'-P-C4' energy: -50.272
flat angles P-C4'-P energy: -32.003
tors. eta vs tors. theta energy: 1.080
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: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -242.746154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.746154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.746154 (E_RNA)
where:
Base-Base interactions energy: -90.597
where: short stacking energy: -81.132
Base-Backbone interact. energy: -1.103
local terms energy: -151.045944
where:
bonds (distance) C4'-P energy: -47.620
bonds (distance) P-C4' energy: -51.187
flat angles C4'-P-C4' energy: -30.596
flat angles P-C4'-P energy: -21.972
tors. eta vs tors. theta energy: 0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -961.161525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.161525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.161525 (E_RNA)
where:
Base-Base interactions energy: -670.861
where: short stacking energy: -279.894
Base-Backbone interact. energy: -1.330
local terms energy: -288.970493
where:
bonds (distance) C4'-P energy: -50.686
bonds (distance) P-C4' energy: -46.666
flat angles C4'-P-C4' energy: -62.862
flat angles P-C4'-P energy: -42.948
tors. eta vs tors. theta energy: -85.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -915.241977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.241977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.241977 (E_RNA)
where:
Base-Base interactions energy: -645.131
where: short stacking energy: -262.762
Base-Backbone interact. energy: -1.984
local terms energy: -268.126940
where:
bonds (distance) C4'-P energy: -46.220
bonds (distance) P-C4' energy: -51.351
flat angles C4'-P-C4' energy: -60.655
flat angles P-C4'-P energy: -43.509
tors. eta vs tors. theta energy: -66.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -882.738429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.738429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.738429 (E_RNA)
where:
Base-Base interactions energy: -616.543
where: short stacking energy: -253.412
Base-Backbone interact. energy: -1.069
local terms energy: -265.126635
where:
bonds (distance) C4'-P energy: -46.902
bonds (distance) P-C4' energy: -48.511
flat angles C4'-P-C4' energy: -59.875
flat angles P-C4'-P energy: -35.607
tors. eta vs tors. theta energy: -74.232
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: 4, replica: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -854.787389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.787389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.787389 (E_RNA)
where:
Base-Base interactions energy: -583.186
where: short stacking energy: -230.915
Base-Backbone interact. energy: -0.994
local terms energy: -270.607252
where:
bonds (distance) C4'-P energy: -46.866
bonds (distance) P-C4' energy: -50.796
flat angles C4'-P-C4' energy: -64.739
flat angles P-C4'-P energy: -43.355
tors. eta vs tors. theta energy: -64.850
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: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -805.481463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.481463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.481463 (E_RNA)
where:
Base-Base interactions energy: -559.083
where: short stacking energy: -237.562
Base-Backbone interact. energy: 0.306
local terms energy: -246.704168
where:
bonds (distance) C4'-P energy: -47.284
bonds (distance) P-C4' energy: -43.207
flat angles C4'-P-C4' energy: -53.082
flat angles P-C4'-P energy: -39.090
tors. eta vs tors. theta energy: -64.041
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: 10
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -730.483238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.483238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.483238 (E_RNA)
where:
Base-Base interactions energy: -484.886
where: short stacking energy: -214.236
Base-Backbone interact. energy: -0.214
local terms energy: -245.383222
where:
bonds (distance) C4'-P energy: -41.987
bonds (distance) P-C4' energy: -49.845
flat angles C4'-P-C4' energy: -55.306
flat angles P-C4'-P energy: -39.017
tors. eta vs tors. theta energy: -59.228
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: 324
Temperature: 1.200000
Total energy: -602.193381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.193381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.193381 (E_RNA)
where:
Base-Base interactions energy: -389.457
where: short stacking energy: -164.507
Base-Backbone interact. energy: -0.886
local terms energy: -211.849757
where:
bonds (distance) C4'-P energy: -45.382
bonds (distance) P-C4' energy: -48.703
flat angles C4'-P-C4' energy: -38.710
flat angles P-C4'-P energy: -32.932
tors. eta vs tors. theta energy: -46.123
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: 4
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -416.322402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.322402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.322402 (E_RNA)
where:
Base-Base interactions energy: -227.161
where: short stacking energy: -126.587
Base-Backbone interact. energy: -0.896
local terms energy: -188.264950
where:
bonds (distance) C4'-P energy: -47.397
bonds (distance) P-C4' energy: -44.308
flat angles C4'-P-C4' energy: -41.243
flat angles P-C4'-P energy: -23.352
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: 9, replica: 8
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -306.085301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.085301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.085301 (E_RNA)
where:
Base-Base interactions energy: -135.607
where: short stacking energy: -76.931
Base-Backbone interact. energy: -1.028
local terms energy: -169.449636
where:
bonds (distance) C4'-P energy: -50.300
bonds (distance) P-C4' energy: -43.363
flat angles C4'-P-C4' energy: -45.608
flat angles P-C4'-P energy: -31.929
tors. eta vs tors. theta energy: 1.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -225.468467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.468467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.468467 (E_RNA)
where:
Base-Base interactions energy: -81.099
where: short stacking energy: -74.868
Base-Backbone interact. energy: 0.257
local terms energy: -144.625735
where:
bonds (distance) C4'-P energy: -51.704
bonds (distance) P-C4' energy: -43.930
flat angles C4'-P-C4' energy: -39.578
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: 9.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -941.415236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.415236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.415236 (E_RNA)
where:
Base-Base interactions energy: -635.932
where: short stacking energy: -269.345
Base-Backbone interact. energy: 1.329
local terms energy: -306.811936
where:
bonds (distance) C4'-P energy: -58.736
bonds (distance) P-C4' energy: -55.150
flat angles C4'-P-C4' energy: -61.460
flat angles P-C4'-P energy: -44.685
tors. eta vs tors. theta energy: -86.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -911.326838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.326838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.326838 (E_RNA)
where:
Base-Base interactions energy: -627.014
where: short stacking energy: -252.808
Base-Backbone interact. energy: -2.612
local terms energy: -281.700363
where:
bonds (distance) C4'-P energy: -52.417
bonds (distance) P-C4' energy: -55.460
flat angles C4'-P-C4' energy: -57.866
flat angles P-C4'-P energy: -37.882
tors. eta vs tors. theta energy: -78.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -869.071146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.071146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.071146 (E_RNA)
where:
Base-Base interactions energy: -601.981
where: short stacking energy: -239.525
Base-Backbone interact. energy: -0.758
local terms energy: -266.332201
where:
bonds (distance) C4'-P energy: -49.510
bonds (distance) P-C4' energy: -54.742
flat angles C4'-P-C4' energy: -54.864
flat angles P-C4'-P energy: -36.918
tors. eta vs tors. theta energy: -70.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -803.882298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.882298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.882298 (E_RNA)
where:
Base-Base interactions energy: -545.592
where: short stacking energy: -238.508
Base-Backbone interact. energy: -1.432
local terms energy: -256.857916
where:
bonds (distance) C4'-P energy: -39.550
bonds (distance) P-C4' energy: -51.113
flat angles C4'-P-C4' energy: -59.935
flat angles P-C4'-P energy: -42.240
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: 325
Temperature: 1.100000
Total energy: -833.546986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.546986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.546986 (E_RNA)
where:
Base-Base interactions energy: -579.917
where: short stacking energy: -236.221
Base-Backbone interact. energy: -1.392
local terms energy: -252.237408
where:
bonds (distance) C4'-P energy: -40.762
bonds (distance) P-C4' energy: -56.317
flat angles C4'-P-C4' energy: -52.931
flat angles P-C4'-P energy: -34.812
tors. eta vs tors. theta energy: -67.416
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: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -766.417059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.417059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.417059 (E_RNA)
where:
Base-Base interactions energy: -533.174
where: short stacking energy: -231.213
Base-Backbone interact. energy: -0.746
local terms energy: -232.496921
where:
bonds (distance) C4'-P energy: -46.503
bonds (distance) P-C4' energy: -39.707
flat angles C4'-P-C4' energy: -55.267
flat angles P-C4'-P energy: -30.838
tors. eta vs tors. theta energy: -60.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -613.002696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.002696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.002696 (E_RNA)
where:
Base-Base interactions energy: -380.866
where: short stacking energy: -173.090
Base-Backbone interact. energy: 1.445
local terms energy: -233.581397
where:
bonds (distance) C4'-P energy: -51.631
bonds (distance) P-C4' energy: -52.235
flat angles C4'-P-C4' energy: -47.168
flat angles P-C4'-P energy: -32.999
tors. eta vs tors. theta energy: -49.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -409.612494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.612494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.612494 (E_RNA)
where:
Base-Base interactions energy: -229.429
where: short stacking energy: -124.831
Base-Backbone interact. energy: -0.935
local terms energy: -179.248180
where:
bonds (distance) C4'-P energy: -43.636
bonds (distance) P-C4' energy: -49.708
flat angles C4'-P-C4' energy: -35.799
flat angles P-C4'-P energy: -33.374
tors. eta vs tors. theta energy: -16.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -302.840420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.840420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.840420 (E_RNA)
where:
Base-Base interactions energy: -119.481
where: short stacking energy: -67.394
Base-Backbone interact. energy: -1.217
local terms energy: -182.143087
where:
bonds (distance) C4'-P energy: -50.485
bonds (distance) P-C4' energy: -51.483
flat angles C4'-P-C4' energy: -44.842
flat angles P-C4'-P energy: -28.318
tors. eta vs tors. theta energy: -7.015
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: 10, replica: 9
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -225.401802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.401802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.401802 (E_RNA)
where:
Base-Base interactions energy: -92.866
where: short stacking energy: -82.368
Base-Backbone interact. energy: 0.118
local terms energy: -132.654089
where:
bonds (distance) C4'-P energy: -43.317
bonds (distance) P-C4' energy: -40.116
flat angles C4'-P-C4' energy: -33.825
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: 1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -936.380412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.380412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.380412 (E_RNA)
where:
Base-Base interactions energy: -659.564
where: short stacking energy: -259.670
Base-Backbone interact. energy: -2.444
local terms energy: -274.372347
where:
bonds (distance) C4'-P energy: -56.561
bonds (distance) P-C4' energy: -57.599
flat angles C4'-P-C4' energy: -55.936
flat angles P-C4'-P energy: -32.314
tors. eta vs tors. theta energy: -71.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -936.131829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.131829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.131829 (E_RNA)
where:
Base-Base interactions energy: -651.682
where: short stacking energy: -271.585
Base-Backbone interact. energy: -0.517
local terms energy: -283.932225
where:
bonds (distance) C4'-P energy: -46.222
bonds (distance) P-C4' energy: -52.848
flat angles C4'-P-C4' energy: -56.897
flat angles P-C4'-P energy: -44.058
tors. eta vs tors. theta energy: -83.906
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: 5
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -884.033142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.033142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.033142 (E_RNA)
where:
Base-Base interactions energy: -610.078
where: short stacking energy: -261.969
Base-Backbone interact. energy: -1.483
local terms energy: -272.471634
where:
bonds (distance) C4'-P energy: -46.959
bonds (distance) P-C4' energy: -52.530
flat angles C4'-P-C4' energy: -62.185
flat angles P-C4'-P energy: -37.036
tors. eta vs tors. theta energy: -73.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -808.997542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.997542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.997542 (E_RNA)
where:
Base-Base interactions energy: -545.136
where: short stacking energy: -234.387
Base-Backbone interact. energy: 1.327
local terms energy: -265.189299
where:
bonds (distance) C4'-P energy: -47.706
bonds (distance) P-C4' energy: -51.026
flat angles C4'-P-C4' energy: -67.273
flat angles P-C4'-P energy: -30.171
tors. eta vs tors. theta energy: -69.013
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: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -843.292560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.292560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.292560 (E_RNA)
where:
Base-Base interactions energy: -591.179
where: short stacking energy: -237.979
Base-Backbone interact. energy: -1.130
local terms energy: -250.983813
where:
bonds (distance) C4'-P energy: -43.702
bonds (distance) P-C4' energy: -51.282
flat angles C4'-P-C4' energy: -49.641
flat angles P-C4'-P energy: -38.463
tors. eta vs tors. theta energy: -67.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -754.659235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.659235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.659235 (E_RNA)
where:
Base-Base interactions energy: -528.166
where: short stacking energy: -207.809
Base-Backbone interact. energy: -0.486
local terms energy: -226.007238
where:
bonds (distance) C4'-P energy: -37.974
bonds (distance) P-C4' energy: -48.667
flat angles C4'-P-C4' energy: -41.809
flat angles P-C4'-P energy: -38.969
tors. eta vs tors. theta energy: -58.588
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: 7, replica: 7
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -590.983190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.983190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.983190 (E_RNA)
where:
Base-Base interactions energy: -392.041
where: short stacking energy: -173.292
Base-Backbone interact. energy: -0.394
local terms energy: -198.547315
where:
bonds (distance) C4'-P energy: -38.190
bonds (distance) P-C4' energy: -46.526
flat angles C4'-P-C4' energy: -48.802
flat angles P-C4'-P energy: -35.345
tors. eta vs tors. theta energy: -29.684
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: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -422.465568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.465568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.465568 (E_RNA)
where:
Base-Base interactions energy: -244.633
where: short stacking energy: -143.124
Base-Backbone interact. energy: 0.820
local terms energy: -178.652740
where:
bonds (distance) C4'-P energy: -34.514
bonds (distance) P-C4' energy: -46.875
flat angles C4'-P-C4' energy: -39.265
flat angles P-C4'-P energy: -31.760
tors. eta vs tors. theta energy: -26.239
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: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -271.678333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.678333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.678333 (E_RNA)
where:
Base-Base interactions energy: -121.691
where: short stacking energy: -88.260
Base-Backbone interact. energy: -1.198
local terms energy: -148.789090
where:
bonds (distance) C4'-P energy: -37.183
bonds (distance) P-C4' energy: -46.674
flat angles C4'-P-C4' energy: -35.512
flat angles P-C4'-P energy: -36.933
tors. eta vs tors. theta energy: 7.513
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: 10, replica: 9
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -245.214060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.214060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.214060 (E_RNA)
where:
Base-Base interactions energy: -101.443
where: short stacking energy: -87.413
Base-Backbone interact. energy: -0.442
local terms energy: -143.328785
where:
bonds (distance) C4'-P energy: -42.036
bonds (distance) P-C4' energy: -41.541
flat angles C4'-P-C4' energy: -30.284
flat angles P-C4'-P energy: -30.900
tors. eta vs tors. theta energy: 1.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -936.907321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.907321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.907321 (E_RNA)
where:
Base-Base interactions energy: -658.824
where: short stacking energy: -259.294
Base-Backbone interact. energy: 0.720
local terms energy: -278.803729
where:
bonds (distance) C4'-P energy: -45.598
bonds (distance) P-C4' energy: -63.280
flat angles C4'-P-C4' energy: -53.984
flat angles P-C4'-P energy: -42.737
tors. eta vs tors. theta energy: -73.204
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: 2, replica: 3
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -913.651742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.651742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.651742 (E_RNA)
where:
Base-Base interactions energy: -631.968
where: short stacking energy: -261.509
Base-Backbone interact. energy: -2.300
local terms energy: -279.383556
where:
bonds (distance) C4'-P energy: -46.590
bonds (distance) P-C4' energy: -54.772
flat angles C4'-P-C4' energy: -55.584
flat angles P-C4'-P energy: -40.272
tors. eta vs tors. theta energy: -82.166
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: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -890.688875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.688875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.688875 (E_RNA)
where:
Base-Base interactions energy: -620.547
where: short stacking energy: -261.961
Base-Backbone interact. energy: 1.724
local terms energy: -271.865992
where:
bonds (distance) C4'-P energy: -49.269
bonds (distance) P-C4' energy: -52.128
flat angles C4'-P-C4' energy: -56.709
flat angles P-C4'-P energy: -37.754
tors. eta vs tors. theta energy: -76.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -869.941331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.941331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.941331 (E_RNA)
where:
Base-Base interactions energy: -615.967
where: short stacking energy: -235.327
Base-Backbone interact. energy: -0.954
local terms energy: -253.020131
where:
bonds (distance) C4'-P energy: -49.216
bonds (distance) P-C4' energy: -47.879
flat angles C4'-P-C4' energy: -51.284
flat angles P-C4'-P energy: -35.456
tors. eta vs tors. theta energy: -69.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -781.425452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.425452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.425452 (E_RNA)
where:
Base-Base interactions energy: -539.698
where: short stacking energy: -237.108
Base-Backbone interact. energy: 0.181
local terms energy: -241.907943
where:
bonds (distance) C4'-P energy: -35.785
bonds (distance) P-C4' energy: -54.745
flat angles C4'-P-C4' energy: -47.842
flat angles P-C4'-P energy: -29.268
tors. eta vs tors. theta energy: -74.268
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: 6, replica: 10
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -740.931440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.931440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.931440 (E_RNA)
where:
Base-Base interactions energy: -498.374
where: short stacking energy: -207.280
Base-Backbone interact. energy: -1.664
local terms energy: -240.893842
where:
bonds (distance) C4'-P energy: -45.634
bonds (distance) P-C4' energy: -47.273
flat angles C4'-P-C4' energy: -53.116
flat angles P-C4'-P energy: -34.610
tors. eta vs tors. theta energy: -60.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -560.228824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.228824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.228824 (E_RNA)
where:
Base-Base interactions energy: -358.541
where: short stacking energy: -151.529
Base-Backbone interact. energy: -0.219
local terms energy: -201.468803
where:
bonds (distance) C4'-P energy: -44.167
bonds (distance) P-C4' energy: -49.714
flat angles C4'-P-C4' energy: -49.111
flat angles P-C4'-P energy: -29.205
tors. eta vs tors. theta energy: -29.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -416.360258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.360258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.360258 (E_RNA)
where:
Base-Base interactions energy: -239.211
where: short stacking energy: -133.494
Base-Backbone interact. energy: -0.384
local terms energy: -176.765732
where:
bonds (distance) C4'-P energy: -49.490
bonds (distance) P-C4' energy: -42.259
flat angles C4'-P-C4' energy: -33.180
flat angles P-C4'-P energy: -24.569
tors. eta vs tors. theta energy: -27.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -245.808827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.808827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.808827 (E_RNA)
where:
Base-Base interactions energy: -64.381
where: short stacking energy: -59.796
Base-Backbone interact. energy: -1.500
local terms energy: -179.927845
where:
bonds (distance) C4'-P energy: -51.042
bonds (distance) P-C4' energy: -52.786
flat angles C4'-P-C4' energy: -47.174
flat angles P-C4'-P energy: -23.602
tors. eta vs tors. theta energy: -5.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -252.826414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.826414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.826414 (E_RNA)
where:
Base-Base interactions energy: -85.209
where: short stacking energy: -71.061
Base-Backbone interact. energy: -1.370
local terms energy: -166.247460
where:
bonds (distance) C4'-P energy: -47.487
bonds (distance) P-C4' energy: -46.122
flat angles C4'-P-C4' energy: -37.204
flat angles P-C4'-P energy: -23.491
tors. eta vs tors. theta energy: -11.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -941.867175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.867175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.867175 (E_RNA)
where:
Base-Base interactions energy: -653.154
where: short stacking energy: -272.213
Base-Backbone interact. energy: 3.106
local terms energy: -291.819244
where:
bonds (distance) C4'-P energy: -53.766
bonds (distance) P-C4' energy: -51.853
flat angles C4'-P-C4' energy: -61.150
flat angles P-C4'-P energy: -39.343
tors. eta vs tors. theta energy: -85.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -900.022598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.022598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.022598 (E_RNA)
where:
Base-Base interactions energy: -621.937
where: short stacking energy: -255.098
Base-Backbone interact. energy: 1.454
local terms energy: -279.540116
where:
bonds (distance) C4'-P energy: -53.939
bonds (distance) P-C4' energy: -51.480
flat angles C4'-P-C4' energy: -59.537
flat angles P-C4'-P energy: -38.153
tors. eta vs tors. theta energy: -76.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -875.087718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.087718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.087718 (E_RNA)
where:
Base-Base interactions energy: -621.160
where: short stacking energy: -256.590
Base-Backbone interact. energy: -2.809
local terms energy: -251.119526
where:
bonds (distance) C4'-P energy: -40.682
bonds (distance) P-C4' energy: -48.086
flat angles C4'-P-C4' energy: -50.476
flat angles P-C4'-P energy: -36.340
tors. eta vs tors. theta energy: -75.536
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: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -875.507895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.507895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.507895 (E_RNA)
where:
Base-Base interactions energy: -604.026
where: short stacking energy: -237.027
Base-Backbone interact. energy: 5.505
local terms energy: -276.986914
where:
bonds (distance) C4'-P energy: -46.860
bonds (distance) P-C4' energy: -54.525
flat angles C4'-P-C4' energy: -67.075
flat angles P-C4'-P energy: -42.308
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: 5, replica: 10
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -745.558084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.558084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.558084 (E_RNA)
where:
Base-Base interactions energy: -505.972
where: short stacking energy: -221.056
Base-Backbone interact. energy: -1.369
local terms energy: -238.217755
where:
bonds (distance) C4'-P energy: -49.274
bonds (distance) P-C4' energy: -54.258
flat angles C4'-P-C4' energy: -44.390
flat angles P-C4'-P energy: -36.322
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: 6, replica: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -759.986221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.986221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.986221 (E_RNA)
where:
Base-Base interactions energy: -535.282
where: short stacking energy: -229.361
Base-Backbone interact. energy: -1.340
local terms energy: -223.364463
where:
bonds (distance) C4'-P energy: -51.075
bonds (distance) P-C4' energy: -31.799
flat angles C4'-P-C4' energy: -44.992
flat angles P-C4'-P energy: -31.509
tors. eta vs tors. theta energy: -63.989
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: 328
Temperature: 1.200000
Total energy: -568.528828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.528828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.528828 (E_RNA)
where:
Base-Base interactions energy: -373.482
where: short stacking energy: -176.048
Base-Backbone interact. energy: -1.298
local terms energy: -193.749679
where:
bonds (distance) C4'-P energy: -36.828
bonds (distance) P-C4' energy: -45.929
flat angles C4'-P-C4' energy: -56.116
flat angles P-C4'-P energy: -18.849
tors. eta vs tors. theta energy: -36.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -434.918636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.918636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.918636 (E_RNA)
where:
Base-Base interactions energy: -245.488
where: short stacking energy: -129.813
Base-Backbone interact. energy: 1.055
local terms energy: -190.485712
where:
bonds (distance) C4'-P energy: -31.478
bonds (distance) P-C4' energy: -54.020
flat angles C4'-P-C4' energy: -44.930
flat angles P-C4'-P energy: -27.711
tors. eta vs tors. theta energy: -32.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -249.085022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.085022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.085022 (E_RNA)
where:
Base-Base interactions energy: -97.512
where: short stacking energy: -86.961
Base-Backbone interact. energy: -0.789
local terms energy: -150.783580
where:
bonds (distance) C4'-P energy: -48.082
bonds (distance) P-C4' energy: -38.886
flat angles C4'-P-C4' energy: -39.693
flat angles P-C4'-P energy: -21.313
tors. eta vs tors. theta energy: -2.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -217.405475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.405475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.405475 (E_RNA)
where:
Base-Base interactions energy: -77.501
where: short stacking energy: -55.056
Base-Backbone interact. energy: -2.331
local terms energy: -137.573386
where:
bonds (distance) C4'-P energy: -46.071
bonds (distance) P-C4' energy: -43.564
flat angles C4'-P-C4' energy: -39.486
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: 6.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -953.243607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.243607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.243607 (E_RNA)
where:
Base-Base interactions energy: -660.093
where: short stacking energy: -280.904
Base-Backbone interact. energy: -1.350
local terms energy: -291.799999
where:
bonds (distance) C4'-P energy: -61.707
bonds (distance) P-C4' energy: -50.140
flat angles C4'-P-C4' energy: -52.814
flat angles P-C4'-P energy: -40.052
tors. eta vs tors. theta energy: -87.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -885.451990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.451990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.451990 (E_RNA)
where:
Base-Base interactions energy: -622.721
where: short stacking energy: -246.388
Base-Backbone interact. energy: -1.138
local terms energy: -261.593787
where:
bonds (distance) C4'-P energy: -47.136
bonds (distance) P-C4' energy: -44.439
flat angles C4'-P-C4' energy: -58.945
flat angles P-C4'-P energy: -36.208
tors. eta vs tors. theta energy: -74.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -880.919418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.919418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.919418 (E_RNA)
where:
Base-Base interactions energy: -610.447
where: short stacking energy: -242.724
Base-Backbone interact. energy: 0.024
local terms energy: -270.496283
where:
bonds (distance) C4'-P energy: -48.322
bonds (distance) P-C4' energy: -55.050
flat angles C4'-P-C4' energy: -53.541
flat angles P-C4'-P energy: -44.425
tors. eta vs tors. theta energy: -69.159
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: 4, replica: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -866.835056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.835056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.835056 (E_RNA)
where:
Base-Base interactions energy: -611.137
where: short stacking energy: -232.841
Base-Backbone interact. energy: -1.511
local terms energy: -254.187748
where:
bonds (distance) C4'-P energy: -46.796
bonds (distance) P-C4' energy: -48.254
flat angles C4'-P-C4' energy: -48.355
flat angles P-C4'-P energy: -38.292
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: 10
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -744.734553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.734553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.734553 (E_RNA)
where:
Base-Base interactions energy: -501.315
where: short stacking energy: -222.178
Base-Backbone interact. energy: -0.767
local terms energy: -242.652349
where:
bonds (distance) C4'-P energy: -52.016
bonds (distance) P-C4' energy: -38.367
flat angles C4'-P-C4' energy: -54.229
flat angles P-C4'-P energy: -43.461
tors. eta vs tors. theta energy: -54.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -733.217032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.217032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.217032 (E_RNA)
where:
Base-Base interactions energy: -486.646
where: short stacking energy: -217.178
Base-Backbone interact. energy: 0.609
local terms energy: -247.180173
where:
bonds (distance) C4'-P energy: -47.956
bonds (distance) P-C4' energy: -40.727
flat angles C4'-P-C4' energy: -57.514
flat angles P-C4'-P energy: -34.309
tors. eta vs tors. theta energy: -66.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -618.019528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.019528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.019528 (E_RNA)
where:
Base-Base interactions energy: -400.498
where: short stacking energy: -195.630
Base-Backbone interact. energy: 0.738
local terms energy: -218.259475
where:
bonds (distance) C4'-P energy: -38.666
bonds (distance) P-C4' energy: -51.509
flat angles C4'-P-C4' energy: -46.829
flat angles P-C4'-P energy: -29.886
tors. eta vs tors. theta energy: -51.369
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: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -402.863606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.863606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.863606 (E_RNA)
where:
Base-Base interactions energy: -228.280
where: short stacking energy: -120.860
Base-Backbone interact. energy: 1.512
local terms energy: -176.096017
where:
bonds (distance) C4'-P energy: -50.401
bonds (distance) P-C4' energy: -31.024
flat angles C4'-P-C4' energy: -41.266
flat angles P-C4'-P energy: -34.934
tors. eta vs tors. theta energy: -18.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -255.495081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.495081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.495081 (E_RNA)
where:
Base-Base interactions energy: -87.235
where: short stacking energy: -64.815
Base-Backbone interact. energy: -0.141
local terms energy: -168.119005
where:
bonds (distance) C4'-P energy: -51.776
bonds (distance) P-C4' energy: -52.714
flat angles C4'-P-C4' energy: -43.292
flat angles P-C4'-P energy: -23.752
tors. eta vs tors. theta energy: 3.415
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: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -220.893090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.893090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.893090 (E_RNA)
where:
Base-Base interactions energy: -78.958
where: short stacking energy: -65.198
Base-Backbone interact. energy: -0.546
local terms energy: -141.389651
where:
bonds (distance) C4'-P energy: -48.960
bonds (distance) P-C4' energy: -48.858
flat angles C4'-P-C4' energy: -38.576
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: 12.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -928.532397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.532397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.532397 (E_RNA)
where:
Base-Base interactions energy: -645.045
where: short stacking energy: -270.178
Base-Backbone interact. energy: -3.230
local terms energy: -280.258180
where:
bonds (distance) C4'-P energy: -54.272
bonds (distance) P-C4' energy: -44.876
flat angles C4'-P-C4' energy: -63.316
flat angles P-C4'-P energy: -35.653
tors. eta vs tors. theta energy: -82.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -901.232352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.232352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.232352 (E_RNA)
where:
Base-Base interactions energy: -629.696
where: short stacking energy: -244.883
Base-Backbone interact. energy: -1.703
local terms energy: -269.833345
where:
bonds (distance) C4'-P energy: -52.695
bonds (distance) P-C4' energy: -50.350
flat angles C4'-P-C4' energy: -61.494
flat angles P-C4'-P energy: -41.046
tors. eta vs tors. theta energy: -64.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -866.031775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.031775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.031775 (E_RNA)
where:
Base-Base interactions energy: -601.455
where: short stacking energy: -251.626
Base-Backbone interact. energy: -1.729
local terms energy: -262.847146
where:
bonds (distance) C4'-P energy: -54.587
bonds (distance) P-C4' energy: -50.046
flat angles C4'-P-C4' energy: -47.444
flat angles P-C4'-P energy: -41.606
tors. eta vs tors. theta energy: -69.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -878.905163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.905163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.905163 (E_RNA)
where:
Base-Base interactions energy: -617.827
where: short stacking energy: -247.671
Base-Backbone interact. energy: -1.414
local terms energy: -259.664136
where:
bonds (distance) C4'-P energy: -56.208
bonds (distance) P-C4' energy: -37.317
flat angles C4'-P-C4' energy: -61.622
flat angles P-C4'-P energy: -32.640
tors. eta vs tors. theta energy: -71.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -743.350480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.350480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.350480 (E_RNA)
where:
Base-Base interactions energy: -490.760
where: short stacking energy: -221.483
Base-Backbone interact. energy: -1.659
local terms energy: -250.931614
where:
bonds (distance) C4'-P energy: -47.666
bonds (distance) P-C4' energy: -49.872
flat angles C4'-P-C4' energy: -61.753
flat angles P-C4'-P energy: -30.475
tors. eta vs tors. theta energy: -61.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -742.279018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.279018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.279018 (E_RNA)
where:
Base-Base interactions energy: -498.382
where: short stacking energy: -213.218
Base-Backbone interact. energy: -1.097
local terms energy: -242.800426
where:
bonds (distance) C4'-P energy: -46.663
bonds (distance) P-C4' energy: -42.675
flat angles C4'-P-C4' energy: -58.838
flat angles P-C4'-P energy: -32.638
tors. eta vs tors. theta energy: -61.987
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: 330
Temperature: 1.200000
Total energy: -627.335842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.335842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.335842 (E_RNA)
where:
Base-Base interactions energy: -403.757
where: short stacking energy: -183.782
Base-Backbone interact. energy: 0.049
local terms energy: -223.628307
where:
bonds (distance) C4'-P energy: -44.127
bonds (distance) P-C4' energy: -49.321
flat angles C4'-P-C4' energy: -41.750
flat angles P-C4'-P energy: -33.937
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: 8, replica: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -419.610917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.610917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.610917 (E_RNA)
where:
Base-Base interactions energy: -224.087
where: short stacking energy: -125.842
Base-Backbone interact. energy: 0.416
local terms energy: -195.940144
where:
bonds (distance) C4'-P energy: -45.746
bonds (distance) P-C4' energy: -54.569
flat angles C4'-P-C4' energy: -51.019
flat angles P-C4'-P energy: -21.892
tors. eta vs tors. theta energy: -22.714
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: 330
Temperature: 1.300000
Total energy: -238.187774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.187774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.187774 (E_RNA)
where:
Base-Base interactions energy: -93.604
where: short stacking energy: -72.640
Base-Backbone interact. energy: -3.330
local terms energy: -141.253572
where:
bonds (distance) C4'-P energy: -42.925
bonds (distance) P-C4' energy: -50.011
flat angles C4'-P-C4' energy: -33.529
flat angles P-C4'-P energy: -26.486
tors. eta vs tors. theta energy: 11.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -237.601297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.601297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.601297 (E_RNA)
where:
Base-Base interactions energy: -93.211
where: short stacking energy: -84.272
Base-Backbone interact. energy: -0.311
local terms energy: -144.079170
where:
bonds (distance) C4'-P energy: -52.254
bonds (distance) P-C4' energy: -30.791
flat angles C4'-P-C4' energy: -39.447
flat angles P-C4'-P energy: -24.323
tors. eta vs tors. theta energy: 2.736
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: 1, replica: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -932.910546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.910546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.910546 (E_RNA)
where:
Base-Base interactions energy: -640.618
where: short stacking energy: -258.166
Base-Backbone interact. energy: -2.833
local terms energy: -289.459435
where:
bonds (distance) C4'-P energy: -51.444
bonds (distance) P-C4' energy: -53.903
flat angles C4'-P-C4' energy: -62.169
flat angles P-C4'-P energy: -42.463
tors. eta vs tors. theta energy: -79.480
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: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -913.831175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.831175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.831175 (E_RNA)
where:
Base-Base interactions energy: -647.456
where: short stacking energy: -252.325
Base-Backbone interact. energy: -0.157
local terms energy: -266.218873
where:
bonds (distance) C4'-P energy: -41.524
bonds (distance) P-C4' energy: -63.102
flat angles C4'-P-C4' energy: -53.246
flat angles P-C4'-P energy: -37.843
tors. eta vs tors. theta energy: -70.504
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: 331
Temperature: 1.000000
Total energy: -866.995161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.995161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.995161 (E_RNA)
where:
Base-Base interactions energy: -609.488
where: short stacking energy: -245.266
Base-Backbone interact. energy: -1.879
local terms energy: -255.628132
where:
bonds (distance) C4'-P energy: -50.464
bonds (distance) P-C4' energy: -44.572
flat angles C4'-P-C4' energy: -53.607
flat angles P-C4'-P energy: -35.766
tors. eta vs tors. theta energy: -71.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -865.565435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.565435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.565435 (E_RNA)
where:
Base-Base interactions energy: -601.201
where: short stacking energy: -249.305
Base-Backbone interact. energy: -0.757
local terms energy: -263.607587
where:
bonds (distance) C4'-P energy: -48.728
bonds (distance) P-C4' energy: -46.180
flat angles C4'-P-C4' energy: -54.503
flat angles P-C4'-P energy: -39.067
tors. eta vs tors. theta energy: -75.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -735.646114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.646114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.646114 (E_RNA)
where:
Base-Base interactions energy: -504.790
where: short stacking energy: -217.541
Base-Backbone interact. energy: -1.374
local terms energy: -229.482171
where:
bonds (distance) C4'-P energy: -40.918
bonds (distance) P-C4' energy: -47.700
flat angles C4'-P-C4' energy: -46.516
flat angles P-C4'-P energy: -33.574
tors. eta vs tors. theta energy: -60.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -729.793423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.793423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.793423 (E_RNA)
where:
Base-Base interactions energy: -494.653
where: short stacking energy: -213.697
Base-Backbone interact. energy: -0.805
local terms energy: -234.336046
where:
bonds (distance) C4'-P energy: -39.801
bonds (distance) P-C4' energy: -46.718
flat angles C4'-P-C4' energy: -54.180
flat angles P-C4'-P energy: -24.944
tors. eta vs tors. theta energy: -68.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -607.632374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.632374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.632374 (E_RNA)
where:
Base-Base interactions energy: -400.158
where: short stacking energy: -177.943
Base-Backbone interact. energy: -1.363
local terms energy: -206.110812
where:
bonds (distance) C4'-P energy: -52.291
bonds (distance) P-C4' energy: -36.826
flat angles C4'-P-C4' energy: -45.343
flat angles P-C4'-P energy: -41.667
tors. eta vs tors. theta energy: -29.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -395.563274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.563274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.563274 (E_RNA)
where:
Base-Base interactions energy: -220.138
where: short stacking energy: -107.906
Base-Backbone interact. energy: -1.830
local terms energy: -173.595539
where:
bonds (distance) C4'-P energy: -37.470
bonds (distance) P-C4' energy: -53.390
flat angles C4'-P-C4' energy: -44.900
flat angles P-C4'-P energy: -18.619
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -264.377244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.377244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.377244 (E_RNA)
where:
Base-Base interactions energy: -102.759
where: short stacking energy: -96.148
Base-Backbone interact. energy: -0.442
local terms energy: -161.176365
where:
bonds (distance) C4'-P energy: -42.954
bonds (distance) P-C4' energy: -50.614
flat angles C4'-P-C4' energy: -34.939
flat angles P-C4'-P energy: -34.914
tors. eta vs tors. theta energy: 2.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -231.238367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.238367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.238367 (E_RNA)
where:
Base-Base interactions energy: -95.470
where: short stacking energy: -44.906
Base-Backbone interact. energy: 4.816
local terms energy: -140.584819
where:
bonds (distance) C4'-P energy: -51.322
bonds (distance) P-C4' energy: -44.236
flat angles C4'-P-C4' energy: -40.291
flat angles P-C4'-P energy: -18.062
tors. eta vs tors. theta energy: 13.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -937.279154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.279154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.279154 (E_RNA)
where:
Base-Base interactions energy: -642.993
where: short stacking energy: -274.336
Base-Backbone interact. energy: -2.192
local terms energy: -292.093709
where:
bonds (distance) C4'-P energy: -55.560
bonds (distance) P-C4' energy: -60.160
flat angles C4'-P-C4' energy: -54.786
flat angles P-C4'-P energy: -42.304
tors. eta vs tors. theta energy: -79.284
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: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -910.492445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.492445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.492445 (E_RNA)
where:
Base-Base interactions energy: -631.090
where: short stacking energy: -222.311
Base-Backbone interact. energy: -1.328
local terms energy: -278.073806
where:
bonds (distance) C4'-P energy: -53.361
bonds (distance) P-C4' energy: -58.935
flat angles C4'-P-C4' energy: -59.962
flat angles P-C4'-P energy: -41.096
tors. eta vs tors. theta energy: -64.720
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: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -878.335177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.335177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.335177 (E_RNA)
where:
Base-Base interactions energy: -600.923
where: short stacking energy: -256.798
Base-Backbone interact. energy: -0.291
local terms energy: -277.122010
where:
bonds (distance) C4'-P energy: -50.803
bonds (distance) P-C4' energy: -55.995
flat angles C4'-P-C4' energy: -56.989
flat angles P-C4'-P energy: -35.614
tors. eta vs tors. theta energy: -77.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -849.062771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.062771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.062771 (E_RNA)
where:
Base-Base interactions energy: -583.278
where: short stacking energy: -236.462
Base-Backbone interact. energy: 0.181
local terms energy: -265.966165
where:
bonds (distance) C4'-P energy: -43.127
bonds (distance) P-C4' energy: -52.370
flat angles C4'-P-C4' energy: -55.845
flat angles P-C4'-P energy: -38.490
tors. eta vs tors. theta energy: -76.134
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: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -743.318655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.318655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.318655 (E_RNA)
where:
Base-Base interactions energy: -507.956
where: short stacking energy: -219.725
Base-Backbone interact. energy: -0.254
local terms energy: -235.108625
where:
bonds (distance) C4'-P energy: -49.056
bonds (distance) P-C4' energy: -54.871
flat angles C4'-P-C4' energy: -48.262
flat angles P-C4'-P energy: -29.932
tors. eta vs tors. theta energy: -52.987
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: 6, replica: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -729.113210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.113210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.113210 (E_RNA)
where:
Base-Base interactions energy: -505.855
where: short stacking energy: -210.401
Base-Backbone interact. energy: -1.485
local terms energy: -221.773607
where:
bonds (distance) C4'-P energy: -37.796
bonds (distance) P-C4' energy: -51.773
flat angles C4'-P-C4' energy: -46.356
flat angles P-C4'-P energy: -25.495
tors. eta vs tors. theta energy: -60.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -604.479022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.479022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.479022 (E_RNA)
where:
Base-Base interactions energy: -405.695
where: short stacking energy: -175.200
Base-Backbone interact. energy: -0.852
local terms energy: -197.931386
where:
bonds (distance) C4'-P energy: -43.500
bonds (distance) P-C4' energy: -54.379
flat angles C4'-P-C4' energy: -38.161
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: -44.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -437.655482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.655482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.655482 (E_RNA)
where:
Base-Base interactions energy: -253.405
where: short stacking energy: -146.596
Base-Backbone interact. energy: -1.471
local terms energy: -182.779331
where:
bonds (distance) C4'-P energy: -42.160
bonds (distance) P-C4' energy: -37.402
flat angles C4'-P-C4' energy: -41.085
flat angles P-C4'-P energy: -35.517
tors. eta vs tors. theta energy: -26.616
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: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -240.177246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.177246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.177246 (E_RNA)
where:
Base-Base interactions energy: -107.487
where: short stacking energy: -72.581
Base-Backbone interact. energy: -1.210
local terms energy: -131.480149
where:
bonds (distance) C4'-P energy: -45.416
bonds (distance) P-C4' energy: -44.141
flat angles C4'-P-C4' energy: -34.085
flat angles P-C4'-P energy: -23.605
tors. eta vs tors. theta energy: 15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -229.559212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.559212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.559212 (E_RNA)
where:
Base-Base interactions energy: -97.268
where: short stacking energy: -52.594
Base-Backbone interact. energy: 2.645
local terms energy: -134.935536
where:
bonds (distance) C4'-P energy: -43.931
bonds (distance) P-C4' energy: -44.197
flat angles C4'-P-C4' energy: -33.671
flat angles P-C4'-P energy: -24.848
tors. eta vs tors. theta energy: 11.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -943.510657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.510657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.510657 (E_RNA)
where:
Base-Base interactions energy: -653.532
where: short stacking energy: -253.258
Base-Backbone interact. energy: -1.701
local terms energy: -288.277090
where:
bonds (distance) C4'-P energy: -60.768
bonds (distance) P-C4' energy: -50.021
flat angles C4'-P-C4' energy: -57.780
flat angles P-C4'-P energy: -40.062
tors. eta vs tors. theta energy: -79.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -897.052268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.052268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.052268 (E_RNA)
where:
Base-Base interactions energy: -623.475
where: short stacking energy: -251.210
Base-Backbone interact. energy: 0.020
local terms energy: -273.597027
where:
bonds (distance) C4'-P energy: -44.130
bonds (distance) P-C4' energy: -55.352
flat angles C4'-P-C4' energy: -60.779
flat angles P-C4'-P energy: -43.482
tors. eta vs tors. theta energy: -69.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -890.333782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.333782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.333782 (E_RNA)
where:
Base-Base interactions energy: -623.134
where: short stacking energy: -240.044
Base-Backbone interact. energy: -1.467
local terms energy: -265.733413
where:
bonds (distance) C4'-P energy: -49.147
bonds (distance) P-C4' energy: -52.502
flat angles C4'-P-C4' energy: -54.926
flat angles P-C4'-P energy: -44.996
tors. eta vs tors. theta energy: -64.161
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: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -833.299466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.299466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.299466 (E_RNA)
where:
Base-Base interactions energy: -568.962
where: short stacking energy: -228.662
Base-Backbone interact. energy: 0.172
local terms energy: -264.509323
where:
bonds (distance) C4'-P energy: -47.837
bonds (distance) P-C4' energy: -49.901
flat angles C4'-P-C4' energy: -62.374
flat angles P-C4'-P energy: -30.432
tors. eta vs tors. theta energy: -73.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -783.715603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.715603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.715603 (E_RNA)
where:
Base-Base interactions energy: -531.828
where: short stacking energy: -233.150
Base-Backbone interact. energy: -0.558
local terms energy: -251.329370
where:
bonds (distance) C4'-P energy: -43.377
bonds (distance) P-C4' energy: -52.509
flat angles C4'-P-C4' energy: -53.064
flat angles P-C4'-P energy: -37.610
tors. eta vs tors. theta energy: -64.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -706.167376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.167376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.167376 (E_RNA)
where:
Base-Base interactions energy: -463.820
where: short stacking energy: -218.356
Base-Backbone interact. energy: 1.374
local terms energy: -243.720582
where:
bonds (distance) C4'-P energy: -43.425
bonds (distance) P-C4' energy: -54.789
flat angles C4'-P-C4' energy: -49.362
flat angles P-C4'-P energy: -33.784
tors. eta vs tors. theta energy: -62.362
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: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -635.816770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.816770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.816770 (E_RNA)
where:
Base-Base interactions energy: -417.245
where: short stacking energy: -197.299
Base-Backbone interact. energy: -0.429
local terms energy: -218.142875
where:
bonds (distance) C4'-P energy: -48.395
bonds (distance) P-C4' energy: -46.463
flat angles C4'-P-C4' energy: -49.463
flat angles P-C4'-P energy: -23.368
tors. eta vs tors. theta energy: -50.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -438.169763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.169763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.169763 (E_RNA)
where:
Base-Base interactions energy: -250.911
where: short stacking energy: -134.675
Base-Backbone interact. energy: -0.320
local terms energy: -186.938507
where:
bonds (distance) C4'-P energy: -42.535
bonds (distance) P-C4' energy: -47.851
flat angles C4'-P-C4' energy: -49.664
flat angles P-C4'-P energy: -26.232
tors. eta vs tors. theta energy: -20.656
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: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -236.009403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.009403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.009403 (E_RNA)
where:
Base-Base interactions energy: -81.219
where: short stacking energy: -66.754
Base-Backbone interact. energy: -0.830
local terms energy: -153.960406
where:
bonds (distance) C4'-P energy: -39.226
bonds (distance) P-C4' energy: -56.378
flat angles C4'-P-C4' energy: -37.660
flat angles P-C4'-P energy: -17.554
tors. eta vs tors. theta energy: -3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -229.345007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.345007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.345007 (E_RNA)
where:
Base-Base interactions energy: -71.249
where: short stacking energy: -62.152
Base-Backbone interact. energy: 1.795
local terms energy: -159.890729
where:
bonds (distance) C4'-P energy: -48.295
bonds (distance) P-C4' energy: -40.482
flat angles C4'-P-C4' energy: -39.632
flat angles P-C4'-P energy: -28.747
tors. eta vs tors. theta energy: -2.736
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: 1, replica: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -942.234810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.234810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.234810 (E_RNA)
where:
Base-Base interactions energy: -651.291
where: short stacking energy: -270.863
Base-Backbone interact. energy: -2.429
local terms energy: -288.515211
where:
bonds (distance) C4'-P energy: -54.562
bonds (distance) P-C4' energy: -51.688
flat angles C4'-P-C4' energy: -62.440
flat angles P-C4'-P energy: -37.812
tors. eta vs tors. theta energy: -82.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -874.533680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.533680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.533680 (E_RNA)
where:
Base-Base interactions energy: -615.636
where: short stacking energy: -235.603
Base-Backbone interact. energy: -1.062
local terms energy: -257.835075
where:
bonds (distance) C4'-P energy: -59.426
bonds (distance) P-C4' energy: -45.492
flat angles C4'-P-C4' energy: -46.779
flat angles P-C4'-P energy: -44.502
tors. eta vs tors. theta energy: -61.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -890.888297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.888297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.888297 (E_RNA)
where:
Base-Base interactions energy: -621.575
where: short stacking energy: -256.433
Base-Backbone interact. energy: -0.645
local terms energy: -268.667954
where:
bonds (distance) C4'-P energy: -38.130
bonds (distance) P-C4' energy: -59.835
flat angles C4'-P-C4' energy: -63.111
flat angles P-C4'-P energy: -32.097
tors. eta vs tors. theta energy: -75.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -824.160607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.160607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.160607 (E_RNA)
where:
Base-Base interactions energy: -561.674
where: short stacking energy: -226.481
Base-Backbone interact. energy: -2.541
local terms energy: -259.944660
where:
bonds (distance) C4'-P energy: -54.992
bonds (distance) P-C4' energy: -47.739
flat angles C4'-P-C4' energy: -56.498
flat angles P-C4'-P energy: -46.268
tors. eta vs tors. theta energy: -54.448
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: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -694.055897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.055897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.055897 (E_RNA)
where:
Base-Base interactions energy: -460.642
where: short stacking energy: -202.456
Base-Backbone interact. energy: -1.413
local terms energy: -232.000975
where:
bonds (distance) C4'-P energy: -45.277
bonds (distance) P-C4' energy: -54.242
flat angles C4'-P-C4' energy: -43.523
flat angles P-C4'-P energy: -39.940
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: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -750.200990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.200990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.200990 (E_RNA)
where:
Base-Base interactions energy: -509.155
where: short stacking energy: -217.713
Base-Backbone interact. energy: -1.407
local terms energy: -239.639271
where:
bonds (distance) C4'-P energy: -44.749
bonds (distance) P-C4' energy: -45.788
flat angles C4'-P-C4' energy: -53.589
flat angles P-C4'-P energy: -38.206
tors. eta vs tors. theta energy: -57.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -615.388266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.388266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.388266 (E_RNA)
where:
Base-Base interactions energy: -396.024
where: short stacking energy: -185.061
Base-Backbone interact. energy: -1.318
local terms energy: -218.046302
where:
bonds (distance) C4'-P energy: -44.828
bonds (distance) P-C4' energy: -54.489
flat angles C4'-P-C4' energy: -44.252
flat angles P-C4'-P energy: -32.924
tors. eta vs tors. theta energy: -41.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -428.316949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.316949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.316949 (E_RNA)
where:
Base-Base interactions energy: -247.693
where: short stacking energy: -129.163
Base-Backbone interact. energy: 0.932
local terms energy: -181.555201
where:
bonds (distance) C4'-P energy: -53.906
bonds (distance) P-C4' energy: -44.551
flat angles C4'-P-C4' energy: -52.569
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -15.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -251.835298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.835298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.835298 (E_RNA)
where:
Base-Base interactions energy: -81.008
where: short stacking energy: -66.896
Base-Backbone interact. energy: -0.453
local terms energy: -170.374138
where:
bonds (distance) C4'-P energy: -48.895
bonds (distance) P-C4' energy: -52.380
flat angles C4'-P-C4' energy: -44.592
flat angles P-C4'-P energy: -31.896
tors. eta vs tors. theta energy: 7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -242.798349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.798349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.798349 (E_RNA)
where:
Base-Base interactions energy: -73.670
where: short stacking energy: -58.746
Base-Backbone interact. energy: 1.038
local terms energy: -170.166355
where:
bonds (distance) C4'-P energy: -53.708
bonds (distance) P-C4' energy: -52.739
flat angles C4'-P-C4' energy: -34.276
flat angles P-C4'-P energy: -34.776
tors. eta vs tors. theta energy: 5.332
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: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -935.638844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.638844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.638844 (E_RNA)
where:
Base-Base interactions energy: -661.807
where: short stacking energy: -279.997
Base-Backbone interact. energy: -2.752
local terms energy: -271.079295
where:
bonds (distance) C4'-P energy: -45.822
bonds (distance) P-C4' energy: -52.121
flat angles C4'-P-C4' energy: -60.582
flat angles P-C4'-P energy: -35.160
tors. eta vs tors. theta energy: -77.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -922.384963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.384963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.384963 (E_RNA)
where:
Base-Base interactions energy: -642.205
where: short stacking energy: -267.774
Base-Backbone interact. energy: 2.579
local terms energy: -282.759570
where:
bonds (distance) C4'-P energy: -55.608
bonds (distance) P-C4' energy: -54.018
flat angles C4'-P-C4' energy: -61.850
flat angles P-C4'-P energy: -33.486
tors. eta vs tors. theta energy: -77.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -893.965282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.965282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.965282 (E_RNA)
where:
Base-Base interactions energy: -638.554
where: short stacking energy: -256.482
Base-Backbone interact. energy: -2.201
local terms energy: -253.210296
where:
bonds (distance) C4'-P energy: -40.432
bonds (distance) P-C4' energy: -51.419
flat angles C4'-P-C4' energy: -51.724
flat angles P-C4'-P energy: -39.579
tors. eta vs tors. theta energy: -70.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -845.047300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.047300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.047300 (E_RNA)
where:
Base-Base interactions energy: -581.765
where: short stacking energy: -241.783
Base-Backbone interact. energy: -2.194
local terms energy: -261.087670
where:
bonds (distance) C4'-P energy: -52.847
bonds (distance) P-C4' energy: -51.578
flat angles C4'-P-C4' energy: -58.704
flat angles P-C4'-P energy: -32.233
tors. eta vs tors. theta energy: -65.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -760.403209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.403209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.403209 (E_RNA)
where:
Base-Base interactions energy: -525.132
where: short stacking energy: -211.664
Base-Backbone interact. energy: -0.695
local terms energy: -234.576240
where:
bonds (distance) C4'-P energy: -43.852
bonds (distance) P-C4' energy: -38.254
flat angles C4'-P-C4' energy: -60.965
flat angles P-C4'-P energy: -26.915
tors. eta vs tors. theta energy: -64.591
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: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -732.195013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.195013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.195013 (E_RNA)
where:
Base-Base interactions energy: -495.086
where: short stacking energy: -201.653
Base-Backbone interact. energy: -1.260
local terms energy: -235.848911
where:
bonds (distance) C4'-P energy: -52.425
bonds (distance) P-C4' energy: -48.862
flat angles C4'-P-C4' energy: -48.649
flat angles P-C4'-P energy: -36.297
tors. eta vs tors. theta energy: -49.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -620.703044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.703044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.703044 (E_RNA)
where:
Base-Base interactions energy: -401.969
where: short stacking energy: -179.079
Base-Backbone interact. energy: -0.522
local terms energy: -218.212005
where:
bonds (distance) C4'-P energy: -50.799
bonds (distance) P-C4' energy: -50.227
flat angles C4'-P-C4' energy: -48.269
flat angles P-C4'-P energy: -33.413
tors. eta vs tors. theta energy: -35.504
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: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -419.965185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.965185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.965185 (E_RNA)
where:
Base-Base interactions energy: -245.844
where: short stacking energy: -135.369
Base-Backbone interact. energy: -0.696
local terms energy: -173.425077
where:
bonds (distance) C4'-P energy: -44.623
bonds (distance) P-C4' energy: -35.938
flat angles C4'-P-C4' energy: -47.059
flat angles P-C4'-P energy: -23.808
tors. eta vs tors. theta energy: -21.997
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: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -251.488972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.488972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.488972 (E_RNA)
where:
Base-Base interactions energy: -80.769
where: short stacking energy: -71.059
Base-Backbone interact. energy: 6.191
local terms energy: -176.910880
where:
bonds (distance) C4'-P energy: -42.790
bonds (distance) P-C4' energy: -57.215
flat angles C4'-P-C4' energy: -45.585
flat angles P-C4'-P energy: -25.538
tors. eta vs tors. theta energy: -5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -239.208859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.208859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.208859 (E_RNA)
where:
Base-Base interactions energy: -88.586
where: short stacking energy: -82.391
Base-Backbone interact. energy: -0.662
local terms energy: -149.961420
where:
bonds (distance) C4'-P energy: -52.127
bonds (distance) P-C4' energy: -50.543
flat angles C4'-P-C4' energy: -29.866
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -946.315543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.315543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.315543 (E_RNA)
where:
Base-Base interactions energy: -652.642
where: short stacking energy: -280.293
Base-Backbone interact. energy: -2.033
local terms energy: -291.639981
where:
bonds (distance) C4'-P energy: -49.832
bonds (distance) P-C4' energy: -60.064
flat angles C4'-P-C4' energy: -62.014
flat angles P-C4'-P energy: -35.617
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: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -922.383547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.383547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.383547 (E_RNA)
where:
Base-Base interactions energy: -656.416
where: short stacking energy: -263.271
Base-Backbone interact. energy: -1.252
local terms energy: -264.715702
where:
bonds (distance) C4'-P energy: -44.977
bonds (distance) P-C4' energy: -42.596
flat angles C4'-P-C4' energy: -59.639
flat angles P-C4'-P energy: -38.940
tors. eta vs tors. theta energy: -78.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -893.121403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.121403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.121403 (E_RNA)
where:
Base-Base interactions energy: -632.120
where: short stacking energy: -238.866
Base-Backbone interact. energy: -0.926
local terms energy: -260.075763
where:
bonds (distance) C4'-P energy: -47.205
bonds (distance) P-C4' energy: -47.786
flat angles C4'-P-C4' energy: -49.394
flat angles P-C4'-P energy: -46.006
tors. eta vs tors. theta energy: -69.684
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: 336
Temperature: 1.050000
Total energy: -845.741105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.741105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.741105 (E_RNA)
where:
Base-Base interactions energy: -581.660
where: short stacking energy: -250.233
Base-Backbone interact. energy: -1.321
local terms energy: -262.760236
where:
bonds (distance) C4'-P energy: -44.486
bonds (distance) P-C4' energy: -54.176
flat angles C4'-P-C4' energy: -53.559
flat angles P-C4'-P energy: -34.721
tors. eta vs tors. theta energy: -75.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -788.900121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.900121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.900121 (E_RNA)
where:
Base-Base interactions energy: -540.812
where: short stacking energy: -240.019
Base-Backbone interact. energy: 0.324
local terms energy: -248.412620
where:
bonds (distance) C4'-P energy: -39.970
bonds (distance) P-C4' energy: -53.802
flat angles C4'-P-C4' energy: -57.881
flat angles P-C4'-P energy: -36.098
tors. eta vs tors. theta energy: -60.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -714.598037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.598037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.598037 (E_RNA)
where:
Base-Base interactions energy: -508.449
where: short stacking energy: -218.305
Base-Backbone interact. energy: -0.596
local terms energy: -205.552781
where:
bonds (distance) C4'-P energy: -32.342
bonds (distance) P-C4' energy: -43.235
flat angles C4'-P-C4' energy: -49.284
flat angles P-C4'-P energy: -23.441
tors. eta vs tors. theta energy: -57.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -630.037935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.037935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.037935 (E_RNA)
where:
Base-Base interactions energy: -399.923
where: short stacking energy: -185.658
Base-Backbone interact. energy: 1.691
local terms energy: -231.806093
where:
bonds (distance) C4'-P energy: -45.997
bonds (distance) P-C4' energy: -53.008
flat angles C4'-P-C4' energy: -50.189
flat angles P-C4'-P energy: -33.662
tors. eta vs tors. theta energy: -48.950
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: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -435.637404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.637404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.637404 (E_RNA)
where:
Base-Base interactions energy: -262.154
where: short stacking energy: -134.814
Base-Backbone interact. energy: 1.456
local terms energy: -174.939691
where:
bonds (distance) C4'-P energy: -41.720
bonds (distance) P-C4' energy: -45.539
flat angles C4'-P-C4' energy: -39.498
flat angles P-C4'-P energy: -27.026
tors. eta vs tors. theta energy: -21.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -249.254762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.254762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.254762 (E_RNA)
where:
Base-Base interactions energy: -94.908
where: short stacking energy: -77.505
Base-Backbone interact. energy: 0.894
local terms energy: -155.240790
where:
bonds (distance) C4'-P energy: -48.626
bonds (distance) P-C4' energy: -53.049
flat angles C4'-P-C4' energy: -39.363
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: 0.817
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: 8
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -228.366584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.366584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.366584 (E_RNA)
where:
Base-Base interactions energy: -100.043
where: short stacking energy: -90.895
Base-Backbone interact. energy: -0.372
local terms energy: -127.951396
where:
bonds (distance) C4'-P energy: -33.321
bonds (distance) P-C4' energy: -32.566
flat angles C4'-P-C4' energy: -43.024
flat angles P-C4'-P energy: -24.480
tors. eta vs tors. theta energy: 5.439
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: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -959.080827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.080827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.080827 (E_RNA)
where:
Base-Base interactions energy: -651.524
where: short stacking energy: -274.848
Base-Backbone interact. energy: -0.127
local terms energy: -307.430299
where:
bonds (distance) C4'-P energy: -56.337
bonds (distance) P-C4' energy: -56.009
flat angles C4'-P-C4' energy: -61.812
flat angles P-C4'-P energy: -44.633
tors. eta vs tors. theta energy: -88.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -907.543425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.543425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.543425 (E_RNA)
where:
Base-Base interactions energy: -638.033
where: short stacking energy: -248.424
Base-Backbone interact. energy: -0.014
local terms energy: -269.496387
where:
bonds (distance) C4'-P energy: -46.550
bonds (distance) P-C4' energy: -53.250
flat angles C4'-P-C4' energy: -61.205
flat angles P-C4'-P energy: -36.023
tors. eta vs tors. theta energy: -72.467
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: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -909.954513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.954513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.954513 (E_RNA)
where:
Base-Base interactions energy: -642.841
where: short stacking energy: -261.372
Base-Backbone interact. energy: -1.967
local terms energy: -265.146610
where:
bonds (distance) C4'-P energy: -50.624
bonds (distance) P-C4' energy: -46.615
flat angles C4'-P-C4' energy: -58.557
flat angles P-C4'-P energy: -32.083
tors. eta vs tors. theta energy: -77.268
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: 4, replica: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -834.971146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.971146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.971146 (E_RNA)
where:
Base-Base interactions energy: -572.673
where: short stacking energy: -243.308
Base-Backbone interact. energy: -1.672
local terms energy: -260.626964
where:
bonds (distance) C4'-P energy: -45.043
bonds (distance) P-C4' energy: -53.394
flat angles C4'-P-C4' energy: -52.808
flat angles P-C4'-P energy: -34.334
tors. eta vs tors. theta energy: -75.047
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: 10
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -751.497948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.497948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.497948 (E_RNA)
where:
Base-Base interactions energy: -517.877
where: short stacking energy: -215.413
Base-Backbone interact. energy: -0.849
local terms energy: -232.771920
where:
bonds (distance) C4'-P energy: -40.940
bonds (distance) P-C4' energy: -40.535
flat angles C4'-P-C4' energy: -46.958
flat angles P-C4'-P energy: -39.973
tors. eta vs tors. theta energy: -64.366
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: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -735.196608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.196608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.196608 (E_RNA)
where:
Base-Base interactions energy: -505.266
where: short stacking energy: -220.212
Base-Backbone interact. energy: -0.093
local terms energy: -229.837289
where:
bonds (distance) C4'-P energy: -37.560
bonds (distance) P-C4' energy: -44.471
flat angles C4'-P-C4' energy: -62.825
flat angles P-C4'-P energy: -29.135
tors. eta vs tors. theta energy: -55.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -655.486895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.486895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.486895 (E_RNA)
where:
Base-Base interactions energy: -420.385
where: short stacking energy: -203.120
Base-Backbone interact. energy: -1.111
local terms energy: -233.991278
where:
bonds (distance) C4'-P energy: -47.448
bonds (distance) P-C4' energy: -41.056
flat angles C4'-P-C4' energy: -55.699
flat angles P-C4'-P energy: -33.025
tors. eta vs tors. theta energy: -56.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -427.223733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.223733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.223733 (E_RNA)
where:
Base-Base interactions energy: -238.496
where: short stacking energy: -133.185
Base-Backbone interact. energy: 0.894
local terms energy: -189.621684
where:
bonds (distance) C4'-P energy: -40.957
bonds (distance) P-C4' energy: -46.296
flat angles C4'-P-C4' energy: -44.564
flat angles P-C4'-P energy: -34.269
tors. eta vs tors. theta energy: -23.535
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: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -238.995044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.995044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.995044 (E_RNA)
where:
Base-Base interactions energy: -79.748
where: short stacking energy: -65.330
Base-Backbone interact. energy: 0.160
local terms energy: -159.406579
where:
bonds (distance) C4'-P energy: -43.839
bonds (distance) P-C4' energy: -48.964
flat angles C4'-P-C4' energy: -40.674
flat angles P-C4'-P energy: -22.683
tors. eta vs tors. theta energy: -3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -239.147892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.147892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.147892 (E_RNA)
where:
Base-Base interactions energy: -99.052
where: short stacking energy: -83.438
Base-Backbone interact. energy: -0.619
local terms energy: -139.477421
where:
bonds (distance) C4'-P energy: -45.874
bonds (distance) P-C4' energy: -38.936
flat angles C4'-P-C4' energy: -34.205
flat angles P-C4'-P energy: -21.679
tors. eta vs tors. theta energy: 1.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -956.988543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.988543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.988543 (E_RNA)
where:
Base-Base interactions energy: -668.947
where: short stacking energy: -276.986
Base-Backbone interact. energy: -1.663
local terms energy: -286.378125
where:
bonds (distance) C4'-P energy: -47.936
bonds (distance) P-C4' energy: -49.514
flat angles C4'-P-C4' energy: -65.772
flat angles P-C4'-P energy: -34.934
tors. eta vs tors. theta energy: -88.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -909.141074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.141074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.141074 (E_RNA)
where:
Base-Base interactions energy: -640.380
where: short stacking energy: -249.241
Base-Backbone interact. energy: -1.656
local terms energy: -267.105384
where:
bonds (distance) C4'-P energy: -45.415
bonds (distance) P-C4' energy: -55.802
flat angles C4'-P-C4' energy: -57.970
flat angles P-C4'-P energy: -43.750
tors. eta vs tors. theta energy: -64.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -879.103158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.103158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.103158 (E_RNA)
where:
Base-Base interactions energy: -611.461
where: short stacking energy: -249.060
Base-Backbone interact. energy: -1.380
local terms energy: -266.261838
where:
bonds (distance) C4'-P energy: -50.365
bonds (distance) P-C4' energy: -49.716
flat angles C4'-P-C4' energy: -56.424
flat angles P-C4'-P energy: -37.691
tors. eta vs tors. theta energy: -72.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -877.365970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.365970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.365970 (E_RNA)
where:
Base-Base interactions energy: -597.676
where: short stacking energy: -248.794
Base-Backbone interact. energy: -2.053
local terms energy: -277.637310
where:
bonds (distance) C4'-P energy: -54.557
bonds (distance) P-C4' energy: -51.448
flat angles C4'-P-C4' energy: -60.912
flat angles P-C4'-P energy: -30.895
tors. eta vs tors. theta energy: -79.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -765.607012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.607012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.607012 (E_RNA)
where:
Base-Base interactions energy: -521.813
where: short stacking energy: -236.770
Base-Backbone interact. energy: 0.155
local terms energy: -243.949288
where:
bonds (distance) C4'-P energy: -42.022
bonds (distance) P-C4' energy: -47.680
flat angles C4'-P-C4' energy: -53.659
flat angles P-C4'-P energy: -34.823
tors. eta vs tors. theta energy: -65.766
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: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -747.024497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.024497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.024497 (E_RNA)
where:
Base-Base interactions energy: -506.580
where: short stacking energy: -217.108
Base-Backbone interact. energy: -1.783
local terms energy: -238.661962
where:
bonds (distance) C4'-P energy: -41.780
bonds (distance) P-C4' energy: -43.471
flat angles C4'-P-C4' energy: -56.947
flat angles P-C4'-P energy: -31.846
tors. eta vs tors. theta energy: -64.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -619.766892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.766892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.766892 (E_RNA)
where:
Base-Base interactions energy: -406.824
where: short stacking energy: -176.648
Base-Backbone interact. energy: 1.364
local terms energy: -214.306806
where:
bonds (distance) C4'-P energy: -43.699
bonds (distance) P-C4' energy: -47.478
flat angles C4'-P-C4' energy: -46.338
flat angles P-C4'-P energy: -30.604
tors. eta vs tors. theta energy: -46.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -432.161037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.161037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.161037 (E_RNA)
where:
Base-Base interactions energy: -250.095
where: short stacking energy: -134.966
Base-Backbone interact. energy: -2.128
local terms energy: -179.937813
where:
bonds (distance) C4'-P energy: -39.363
bonds (distance) P-C4' energy: -43.983
flat angles C4'-P-C4' energy: -36.857
flat angles P-C4'-P energy: -33.186
tors. eta vs tors. theta energy: -26.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -274.866426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.866426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.866426 (E_RNA)
where:
Base-Base interactions energy: -111.314
where: short stacking energy: -98.461
Base-Backbone interact. energy: -1.694
local terms energy: -161.858738
where:
bonds (distance) C4'-P energy: -48.683
bonds (distance) P-C4' energy: -44.719
flat angles C4'-P-C4' energy: -40.167
flat angles P-C4'-P energy: -23.873
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -236.079868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.079868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.079868 (E_RNA)
where:
Base-Base interactions energy: -83.383
where: short stacking energy: -63.015
Base-Backbone interact. energy: -0.097
local terms energy: -152.600034
where:
bonds (distance) C4'-P energy: -49.491
bonds (distance) P-C4' energy: -37.754
flat angles C4'-P-C4' energy: -35.986
flat angles P-C4'-P energy: -29.938
tors. eta vs tors. theta energy: 0.569
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: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -938.997606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.997606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.997606 (E_RNA)
where:
Base-Base interactions energy: -671.546
where: short stacking energy: -273.960
Base-Backbone interact. energy: 0.013
local terms energy: -267.464520
where:
bonds (distance) C4'-P energy: -48.203
bonds (distance) P-C4' energy: -56.740
flat angles C4'-P-C4' energy: -52.700
flat angles P-C4'-P energy: -33.394
tors. eta vs tors. theta energy: -76.428
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: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -891.619553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.619553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.619553 (E_RNA)
where:
Base-Base interactions energy: -646.231
where: short stacking energy: -254.043
Base-Backbone interact. energy: 0.794
local terms energy: -246.182542
where:
bonds (distance) C4'-P energy: -47.682
bonds (distance) P-C4' energy: -49.230
flat angles C4'-P-C4' energy: -56.739
flat angles P-C4'-P energy: -25.145
tors. eta vs tors. theta energy: -67.387
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: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -888.142824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.142824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.142824 (E_RNA)
where:
Base-Base interactions energy: -631.317
where: short stacking energy: -271.312
Base-Backbone interact. energy: -0.679
local terms energy: -256.146965
where:
bonds (distance) C4'-P energy: -50.570
bonds (distance) P-C4' energy: -40.770
flat angles C4'-P-C4' energy: -56.546
flat angles P-C4'-P energy: -35.269
tors. eta vs tors. theta energy: -72.991
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: 1
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -845.535189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.535189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.535189 (E_RNA)
where:
Base-Base interactions energy: -581.121
where: short stacking energy: -239.682
Base-Backbone interact. energy: -0.456
local terms energy: -263.957290
where:
bonds (distance) C4'-P energy: -45.021
bonds (distance) P-C4' energy: -58.095
flat angles C4'-P-C4' energy: -48.399
flat angles P-C4'-P energy: -36.302
tors. eta vs tors. theta energy: -76.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -785.373502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.373502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.373502 (E_RNA)
where:
Base-Base interactions energy: -529.373
where: short stacking energy: -228.949
Base-Backbone interact. energy: -1.357
local terms energy: -254.644087
where:
bonds (distance) C4'-P energy: -49.652
bonds (distance) P-C4' energy: -54.317
flat angles C4'-P-C4' energy: -58.466
flat angles P-C4'-P energy: -30.243
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: 6, replica: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -727.851040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.851040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.851040 (E_RNA)
where:
Base-Base interactions energy: -502.529
where: short stacking energy: -216.425
Base-Backbone interact. energy: -0.418
local terms energy: -224.903973
where:
bonds (distance) C4'-P energy: -44.349
bonds (distance) P-C4' energy: -55.782
flat angles C4'-P-C4' energy: -45.506
flat angles P-C4'-P energy: -31.803
tors. eta vs tors. theta energy: -47.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -587.175422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.175422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.175422 (E_RNA)
where:
Base-Base interactions energy: -388.707
where: short stacking energy: -166.388
Base-Backbone interact. energy: -1.105
local terms energy: -197.363021
where:
bonds (distance) C4'-P energy: -40.711
bonds (distance) P-C4' energy: -45.320
flat angles C4'-P-C4' energy: -44.183
flat angles P-C4'-P energy: -33.470
tors. eta vs tors. theta energy: -33.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -429.662840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.662840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.662840 (E_RNA)
where:
Base-Base interactions energy: -241.699
where: short stacking energy: -125.352
Base-Backbone interact. energy: 1.411
local terms energy: -189.375049
where:
bonds (distance) C4'-P energy: -41.111
bonds (distance) P-C4' energy: -49.995
flat angles C4'-P-C4' energy: -49.970
flat angles P-C4'-P energy: -31.750
tors. eta vs tors. theta energy: -16.548
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: 8
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -238.918344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.918344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.918344 (E_RNA)
where:
Base-Base interactions energy: -83.101
where: short stacking energy: -79.509
Base-Backbone interact. energy: 0.970
local terms energy: -156.787181
where:
bonds (distance) C4'-P energy: -45.781
bonds (distance) P-C4' energy: -51.075
flat angles C4'-P-C4' energy: -32.527
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: -6.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -221.903507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.903507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.903507 (E_RNA)
where:
Base-Base interactions energy: -83.591
where: short stacking energy: -70.784
Base-Backbone interact. energy: -0.473
local terms energy: -137.840068
where:
bonds (distance) C4'-P energy: -34.929
bonds (distance) P-C4' energy: -43.578
flat angles C4'-P-C4' energy: -34.009
flat angles P-C4'-P energy: -23.333
tors. eta vs tors. theta energy: -1.991
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: 1, replica: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -949.685535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.685535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.685535 (E_RNA)
where:
Base-Base interactions energy: -654.622
where: short stacking energy: -271.810
Base-Backbone interact. energy: -2.063
local terms energy: -293.000360
where:
bonds (distance) C4'-P energy: -48.032
bonds (distance) P-C4' energy: -54.314
flat angles C4'-P-C4' energy: -65.108
flat angles P-C4'-P energy: -43.595
tors. eta vs tors. theta energy: -81.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -903.349459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.349459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.349459 (E_RNA)
where:
Base-Base interactions energy: -625.138
where: short stacking energy: -246.178
Base-Backbone interact. energy: 2.639
local terms energy: -280.850334
where:
bonds (distance) C4'-P energy: -58.034
bonds (distance) P-C4' energy: -51.891
flat angles C4'-P-C4' energy: -58.050
flat angles P-C4'-P energy: -44.050
tors. eta vs tors. theta energy: -68.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -894.176561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.176561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.176561 (E_RNA)
where:
Base-Base interactions energy: -614.460
where: short stacking energy: -248.404
Base-Backbone interact. energy: -1.282
local terms energy: -278.435118
where:
bonds (distance) C4'-P energy: -55.207
bonds (distance) P-C4' energy: -54.322
flat angles C4'-P-C4' energy: -55.264
flat angles P-C4'-P energy: -39.704
tors. eta vs tors. theta energy: -73.938
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: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -848.835369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.835369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.835369 (E_RNA)
where:
Base-Base interactions energy: -586.557
where: short stacking energy: -254.825
Base-Backbone interact. energy: -0.701
local terms energy: -261.577857
where:
bonds (distance) C4'-P energy: -42.559
bonds (distance) P-C4' energy: -55.073
flat angles C4'-P-C4' energy: -60.106
flat angles P-C4'-P energy: -32.489
tors. eta vs tors. theta energy: -71.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -766.198051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.198051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.198051 (E_RNA)
where:
Base-Base interactions energy: -529.417
where: short stacking energy: -217.059
Base-Backbone interact. energy: 0.340
local terms energy: -237.121134
where:
bonds (distance) C4'-P energy: -31.523
bonds (distance) P-C4' energy: -58.785
flat angles C4'-P-C4' energy: -55.908
flat angles P-C4'-P energy: -35.132
tors. eta vs tors. theta energy: -55.773
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: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -750.545045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.545045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.545045 (E_RNA)
where:
Base-Base interactions energy: -514.581
where: short stacking energy: -212.681
Base-Backbone interact. energy: -1.496
local terms energy: -234.467584
where:
bonds (distance) C4'-P energy: -45.054
bonds (distance) P-C4' energy: -42.361
flat angles C4'-P-C4' energy: -46.513
flat angles P-C4'-P energy: -38.569
tors. eta vs tors. theta energy: -61.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -592.941209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.941209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.941209 (E_RNA)
where:
Base-Base interactions energy: -401.007
where: short stacking energy: -178.915
Base-Backbone interact. energy: -0.565
local terms energy: -191.369813
where:
bonds (distance) C4'-P energy: -44.129
bonds (distance) P-C4' energy: -35.948
flat angles C4'-P-C4' energy: -51.027
flat angles P-C4'-P energy: -28.252
tors. eta vs tors. theta energy: -32.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -449.861698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.861698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.861698 (E_RNA)
where:
Base-Base interactions energy: -254.578
where: short stacking energy: -139.527
Base-Backbone interact. energy: 0.063
local terms energy: -195.347296
where:
bonds (distance) C4'-P energy: -49.540
bonds (distance) P-C4' energy: -49.192
flat angles C4'-P-C4' energy: -44.438
flat angles P-C4'-P energy: -22.073
tors. eta vs tors. theta energy: -30.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -240.459917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.459917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.459917 (E_RNA)
where:
Base-Base interactions energy: -103.660
where: short stacking energy: -87.185
Base-Backbone interact. energy: 1.537
local terms energy: -138.337339
where:
bonds (distance) C4'-P energy: -38.345
bonds (distance) P-C4' energy: -45.961
flat angles C4'-P-C4' energy: -39.589
flat angles P-C4'-P energy: -22.580
tors. eta vs tors. theta energy: 8.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -249.327948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.327948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.327948 (E_RNA)
where:
Base-Base interactions energy: -95.651
where: short stacking energy: -78.339
Base-Backbone interact. energy: 3.244
local terms energy: -156.921281
where:
bonds (distance) C4'-P energy: -40.822
bonds (distance) P-C4' energy: -51.486
flat angles C4'-P-C4' energy: -49.892
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -946.211715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.211715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.211715 (E_RNA)
where:
Base-Base interactions energy: -641.920
where: short stacking energy: -251.786
Base-Backbone interact. energy: -0.156
local terms energy: -304.136233
where:
bonds (distance) C4'-P energy: -55.748
bonds (distance) P-C4' energy: -57.607
flat angles C4'-P-C4' energy: -61.228
flat angles P-C4'-P energy: -49.197
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: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -908.771795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.771795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.771795 (E_RNA)
where:
Base-Base interactions energy: -639.376
where: short stacking energy: -267.146
Base-Backbone interact. energy: 0.290
local terms energy: -269.686336
where:
bonds (distance) C4'-P energy: -51.618
bonds (distance) P-C4' energy: -50.470
flat angles C4'-P-C4' energy: -61.564
flat angles P-C4'-P energy: -30.328
tors. eta vs tors. theta energy: -75.706
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: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -875.842786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.842786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.842786 (E_RNA)
where:
Base-Base interactions energy: -623.862
where: short stacking energy: -229.497
Base-Backbone interact. energy: -1.218
local terms energy: -250.763455
where:
bonds (distance) C4'-P energy: -50.022
bonds (distance) P-C4' energy: -50.772
flat angles C4'-P-C4' energy: -55.773
flat angles P-C4'-P energy: -35.796
tors. eta vs tors. theta energy: -58.400
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: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -873.995602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.995602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.995602 (E_RNA)
where:
Base-Base interactions energy: -614.022
where: short stacking energy: -255.484
Base-Backbone interact. energy: 0.083
local terms energy: -260.056765
where:
bonds (distance) C4'-P energy: -49.387
bonds (distance) P-C4' energy: -39.905
flat angles C4'-P-C4' energy: -51.814
flat angles P-C4'-P energy: -38.691
tors. eta vs tors. theta energy: -80.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -782.377935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.377935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.377935 (E_RNA)
where:
Base-Base interactions energy: -527.560
where: short stacking energy: -228.020
Base-Backbone interact. energy: -2.833
local terms energy: -251.985054
where:
bonds (distance) C4'-P energy: -52.558
bonds (distance) P-C4' energy: -56.860
flat angles C4'-P-C4' energy: -46.826
flat angles P-C4'-P energy: -38.252
tors. eta vs tors. theta energy: -57.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -742.553027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.553027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.553027 (E_RNA)
where:
Base-Base interactions energy: -519.695
where: short stacking energy: -212.585
Base-Backbone interact. energy: -0.785
local terms energy: -222.072917
where:
bonds (distance) C4'-P energy: -50.711
bonds (distance) P-C4' energy: -39.975
flat angles C4'-P-C4' energy: -46.245
flat angles P-C4'-P energy: -28.109
tors. eta vs tors. theta energy: -57.032
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: 341
Temperature: 1.200000
Total energy: -620.850917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.850917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.850917 (E_RNA)
where:
Base-Base interactions energy: -403.271
where: short stacking energy: -180.337
Base-Backbone interact. energy: -0.907
local terms energy: -216.673115
where:
bonds (distance) C4'-P energy: -49.035
bonds (distance) P-C4' energy: -53.725
flat angles C4'-P-C4' energy: -41.221
flat angles P-C4'-P energy: -32.843
tors. eta vs tors. theta energy: -39.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -425.494588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.494588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.494588 (E_RNA)
where:
Base-Base interactions energy: -247.543
where: short stacking energy: -149.051
Base-Backbone interact. energy: 0.091
local terms energy: -178.042707
where:
bonds (distance) C4'-P energy: -45.074
bonds (distance) P-C4' energy: -45.734
flat angles C4'-P-C4' energy: -20.090
flat angles P-C4'-P energy: -29.522
tors. eta vs tors. theta energy: -37.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -248.707688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.707688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.707688 (E_RNA)
where:
Base-Base interactions energy: -99.627
where: short stacking energy: -85.766
Base-Backbone interact. energy: -0.064
local terms energy: -149.016922
where:
bonds (distance) C4'-P energy: -43.896
bonds (distance) P-C4' energy: -45.315
flat angles C4'-P-C4' energy: -38.023
flat angles P-C4'-P energy: -20.841
tors. eta vs tors. theta energy: -0.943
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: 10, replica: 8
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -234.563744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.563744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.563744 (E_RNA)
where:
Base-Base interactions energy: -81.210
where: short stacking energy: -76.422
Base-Backbone interact. energy: -1.274
local terms energy: -152.079349
where:
bonds (distance) C4'-P energy: -49.475
bonds (distance) P-C4' energy: -53.520
flat angles C4'-P-C4' energy: -36.132
flat angles P-C4'-P energy: -22.463
tors. eta vs tors. theta energy: 9.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -930.541626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.541626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.541626 (E_RNA)
where:
Base-Base interactions energy: -654.984
where: short stacking energy: -272.450
Base-Backbone interact. energy: -1.085
local terms energy: -274.473148
where:
bonds (distance) C4'-P energy: -52.305
bonds (distance) P-C4' energy: -44.869
flat angles C4'-P-C4' energy: -51.103
flat angles P-C4'-P energy: -45.392
tors. eta vs tors. theta energy: -80.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -897.803305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.803305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.803305 (E_RNA)
where:
Base-Base interactions energy: -629.237
where: short stacking energy: -255.896
Base-Backbone interact. energy: -0.468
local terms energy: -268.098109
where:
bonds (distance) C4'-P energy: -46.831
bonds (distance) P-C4' energy: -51.439
flat angles C4'-P-C4' energy: -57.927
flat angles P-C4'-P energy: -34.381
tors. eta vs tors. theta energy: -77.519
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: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -891.720532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.720532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.720532 (E_RNA)
where:
Base-Base interactions energy: -636.103
where: short stacking energy: -250.327
Base-Backbone interact. energy: -2.135
local terms energy: -253.482287
where:
bonds (distance) C4'-P energy: -45.717
bonds (distance) P-C4' energy: -46.917
flat angles C4'-P-C4' energy: -53.201
flat angles P-C4'-P energy: -41.506
tors. eta vs tors. theta energy: -66.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -864.132127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.132127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.132127 (E_RNA)
where:
Base-Base interactions energy: -608.674
where: short stacking energy: -244.899
Base-Backbone interact. energy: -2.266
local terms energy: -253.191671
where:
bonds (distance) C4'-P energy: -42.796
bonds (distance) P-C4' energy: -52.853
flat angles C4'-P-C4' energy: -51.966
flat angles P-C4'-P energy: -33.088
tors. eta vs tors. theta energy: -72.489
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: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -764.753790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.753790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.753790 (E_RNA)
where:
Base-Base interactions energy: -517.667
where: short stacking energy: -224.268
Base-Backbone interact. energy: 1.488
local terms energy: -248.575182
where:
bonds (distance) C4'-P energy: -48.575
bonds (distance) P-C4' energy: -48.702
flat angles C4'-P-C4' energy: -48.671
flat angles P-C4'-P energy: -40.326
tors. eta vs tors. theta energy: -62.301
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: 6, replica: 10
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -776.267016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.267016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.267016 (E_RNA)
where:
Base-Base interactions energy: -525.689
where: short stacking energy: -228.961
Base-Backbone interact. energy: -0.914
local terms energy: -249.664499
where:
bonds (distance) C4'-P energy: -47.150
bonds (distance) P-C4' energy: -48.897
flat angles C4'-P-C4' energy: -56.327
flat angles P-C4'-P energy: -29.567
tors. eta vs tors. theta energy: -67.723
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: 342
Temperature: 1.200000
Total energy: -591.471167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.471167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.471167 (E_RNA)
where:
Base-Base interactions energy: -407.946
where: short stacking energy: -169.656
Base-Backbone interact. energy: -1.569
local terms energy: -181.956476
where:
bonds (distance) C4'-P energy: -42.248
bonds (distance) P-C4' energy: -42.835
flat angles C4'-P-C4' energy: -43.334
flat angles P-C4'-P energy: -17.257
tors. eta vs tors. theta energy: -36.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -414.470900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.470900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.470900 (E_RNA)
where:
Base-Base interactions energy: -227.144
where: short stacking energy: -140.023
Base-Backbone interact. energy: -1.979
local terms energy: -185.348029
where:
bonds (distance) C4'-P energy: -51.080
bonds (distance) P-C4' energy: -51.876
flat angles C4'-P-C4' energy: -34.504
flat angles P-C4'-P energy: -29.004
tors. eta vs tors. theta energy: -18.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -235.932439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.932439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.932439 (E_RNA)
where:
Base-Base interactions energy: -77.386
where: short stacking energy: -64.331
Base-Backbone interact. energy: 3.285
local terms energy: -161.830974
where:
bonds (distance) C4'-P energy: -49.677
bonds (distance) P-C4' energy: -59.068
flat angles C4'-P-C4' energy: -42.820
flat angles P-C4'-P energy: -28.222
tors. eta vs tors. theta energy: 17.956
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: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -233.229750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.229750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.229750 (E_RNA)
where:
Base-Base interactions energy: -98.028
where: short stacking energy: -72.461
Base-Backbone interact. energy: -0.631
local terms energy: -134.571092
where:
bonds (distance) C4'-P energy: -37.946
bonds (distance) P-C4' energy: -52.230
flat angles C4'-P-C4' energy: -36.240
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: 4.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -934.361802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.361802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.361802 (E_RNA)
where:
Base-Base interactions energy: -645.731
where: short stacking energy: -267.569
Base-Backbone interact. energy: -1.571
local terms energy: -287.059380
where:
bonds (distance) C4'-P energy: -46.808
bonds (distance) P-C4' energy: -56.903
flat angles C4'-P-C4' energy: -59.465
flat angles P-C4'-P energy: -41.053
tors. eta vs tors. theta energy: -82.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -873.508968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.508968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.508968 (E_RNA)
where:
Base-Base interactions energy: -621.470
where: short stacking energy: -225.000
Base-Backbone interact. energy: -0.339
local terms energy: -251.700796
where:
bonds (distance) C4'-P energy: -47.281
bonds (distance) P-C4' energy: -46.876
flat angles C4'-P-C4' energy: -51.406
flat angles P-C4'-P energy: -47.635
tors. eta vs tors. theta energy: -58.504
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: 343
Temperature: 1.000000
Total energy: -882.089071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.089071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.089071 (E_RNA)
where:
Base-Base interactions energy: -617.615
where: short stacking energy: -254.646
Base-Backbone interact. energy: -0.686
local terms energy: -263.788234
where:
bonds (distance) C4'-P energy: -40.244
bonds (distance) P-C4' energy: -49.063
flat angles C4'-P-C4' energy: -57.580
flat angles P-C4'-P energy: -38.843
tors. eta vs tors. theta energy: -78.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -855.544974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.544974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.544974 (E_RNA)
where:
Base-Base interactions energy: -585.762
where: short stacking energy: -254.558
Base-Backbone interact. energy: -1.654
local terms energy: -268.128610
where:
bonds (distance) C4'-P energy: -48.675
bonds (distance) P-C4' energy: -56.682
flat angles C4'-P-C4' energy: -50.738
flat angles P-C4'-P energy: -37.594
tors. eta vs tors. theta energy: -74.441
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: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -777.733583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.733583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.733583 (E_RNA)
where:
Base-Base interactions energy: -528.675
where: short stacking energy: -224.271
Base-Backbone interact. energy: -0.608
local terms energy: -248.450401
where:
bonds (distance) C4'-P energy: -40.225
bonds (distance) P-C4' energy: -51.800
flat angles C4'-P-C4' energy: -48.484
flat angles P-C4'-P energy: -38.772
tors. eta vs tors. theta energy: -69.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -732.337398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.337398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.337398 (E_RNA)
where:
Base-Base interactions energy: -494.733
where: short stacking energy: -202.238
Base-Backbone interact. energy: -0.882
local terms energy: -236.723065
where:
bonds (distance) C4'-P energy: -45.970
bonds (distance) P-C4' energy: -41.697
flat angles C4'-P-C4' energy: -58.897
flat angles P-C4'-P energy: -30.772
tors. eta vs tors. theta energy: -59.386
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: 343
Temperature: 1.200000
Total energy: -612.906306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.906306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.906306 (E_RNA)
where:
Base-Base interactions energy: -413.598
where: short stacking energy: -166.275
Base-Backbone interact. energy: -0.874
local terms energy: -198.433971
where:
bonds (distance) C4'-P energy: -41.676
bonds (distance) P-C4' energy: -48.391
flat angles C4'-P-C4' energy: -47.804
flat angles P-C4'-P energy: -30.467
tors. eta vs tors. theta energy: -30.096
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: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -426.654406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.654406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.654406 (E_RNA)
where:
Base-Base interactions energy: -237.079
where: short stacking energy: -127.576
Base-Backbone interact. energy: 0.343
local terms energy: -189.917767
where:
bonds (distance) C4'-P energy: -49.349
bonds (distance) P-C4' energy: -46.793
flat angles C4'-P-C4' energy: -43.002
flat angles P-C4'-P energy: -33.937
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -238.900662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.900662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.900662 (E_RNA)
where:
Base-Base interactions energy: -87.648
where: short stacking energy: -80.786
Base-Backbone interact. energy: -1.035
local terms energy: -150.217525
where:
bonds (distance) C4'-P energy: -49.429
bonds (distance) P-C4' energy: -40.480
flat angles C4'-P-C4' energy: -34.950
flat angles P-C4'-P energy: -23.894
tors. eta vs tors. theta energy: -1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -220.518413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.518413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.518413 (E_RNA)
where:
Base-Base interactions energy: -65.917
where: short stacking energy: -66.103
Base-Backbone interact. energy: -0.737
local terms energy: -153.864444
where:
bonds (distance) C4'-P energy: -47.393
bonds (distance) P-C4' energy: -50.316
flat angles C4'-P-C4' energy: -45.372
flat angles P-C4'-P energy: -19.795
tors. eta vs tors. theta energy: 9.012
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: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -941.425074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.425074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.425074 (E_RNA)
where:
Base-Base interactions energy: -667.214
where: short stacking energy: -266.559
Base-Backbone interact. energy: -3.597
local terms energy: -270.614317
where:
bonds (distance) C4'-P energy: -46.151
bonds (distance) P-C4' energy: -51.612
flat angles C4'-P-C4' energy: -53.810
flat angles P-C4'-P energy: -42.457
tors. eta vs tors. theta energy: -76.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -857.612337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.612337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.612337 (E_RNA)
where:
Base-Base interactions energy: -594.078
where: short stacking energy: -249.604
Base-Backbone interact. energy: -1.448
local terms energy: -262.086369
where:
bonds (distance) C4'-P energy: -47.413
bonds (distance) P-C4' energy: -57.549
flat angles C4'-P-C4' energy: -58.496
flat angles P-C4'-P energy: -34.744
tors. eta vs tors. theta energy: -63.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -885.433587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.433587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.433587 (E_RNA)
where:
Base-Base interactions energy: -614.830
where: short stacking energy: -245.560
Base-Backbone interact. energy: 1.085
local terms energy: -271.688546
where:
bonds (distance) C4'-P energy: -48.286
bonds (distance) P-C4' energy: -54.414
flat angles C4'-P-C4' energy: -55.626
flat angles P-C4'-P energy: -31.680
tors. eta vs tors. theta energy: -81.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -852.511274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.511274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.511274 (E_RNA)
where:
Base-Base interactions energy: -587.985
where: short stacking energy: -230.976
Base-Backbone interact. energy: -1.185
local terms energy: -263.340995
where:
bonds (distance) C4'-P energy: -43.922
bonds (distance) P-C4' energy: -51.293
flat angles C4'-P-C4' energy: -57.786
flat angles P-C4'-P energy: -40.371
tors. eta vs tors. theta energy: -69.970
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: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -789.209845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.209845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.209845 (E_RNA)
where:
Base-Base interactions energy: -536.881
where: short stacking energy: -233.782
Base-Backbone interact. energy: 0.410
local terms energy: -252.739368
where:
bonds (distance) C4'-P energy: -41.773
bonds (distance) P-C4' energy: -50.470
flat angles C4'-P-C4' energy: -61.572
flat angles P-C4'-P energy: -38.992
tors. eta vs tors. theta energy: -59.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -736.483965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.483965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.483965 (E_RNA)
where:
Base-Base interactions energy: -473.502
where: short stacking energy: -215.286
Base-Backbone interact. energy: -0.949
local terms energy: -262.032541
where:
bonds (distance) C4'-P energy: -34.352
bonds (distance) P-C4' energy: -61.526
flat angles C4'-P-C4' energy: -63.236
flat angles P-C4'-P energy: -36.181
tors. eta vs tors. theta energy: -66.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -595.701663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.701663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.701663 (E_RNA)
where:
Base-Base interactions energy: -405.185
where: short stacking energy: -166.692
Base-Backbone interact. energy: 0.204
local terms energy: -190.720959
where:
bonds (distance) C4'-P energy: -48.941
bonds (distance) P-C4' energy: -48.932
flat angles C4'-P-C4' energy: -29.609
flat angles P-C4'-P energy: -31.193
tors. eta vs tors. theta energy: -32.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -401.735806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.735806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.735806 (E_RNA)
where:
Base-Base interactions energy: -221.874
where: short stacking energy: -126.545
Base-Backbone interact. energy: 0.250
local terms energy: -180.112560
where:
bonds (distance) C4'-P energy: -42.371
bonds (distance) P-C4' energy: -45.091
flat angles C4'-P-C4' energy: -39.918
flat angles P-C4'-P energy: -25.525
tors. eta vs tors. theta energy: -27.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -251.636438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.636438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.636438 (E_RNA)
where:
Base-Base interactions energy: -107.232
where: short stacking energy: -98.329
Base-Backbone interact. energy: -0.333
local terms energy: -144.071704
where:
bonds (distance) C4'-P energy: -33.357
bonds (distance) P-C4' energy: -49.216
flat angles C4'-P-C4' energy: -36.180
flat angles P-C4'-P energy: -16.081
tors. eta vs tors. theta energy: -9.237
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: 344
Temperature: 1.350000
Total energy: -244.615916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.615916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.615916 (E_RNA)
where:
Base-Base interactions energy: -88.371
where: short stacking energy: -56.136
Base-Backbone interact. energy: -1.384
local terms energy: -154.860227
where:
bonds (distance) C4'-P energy: -46.362
bonds (distance) P-C4' energy: -45.755
flat angles C4'-P-C4' energy: -43.370
flat angles P-C4'-P energy: -25.696
tors. eta vs tors. theta energy: 6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -941.086738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.086738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.086738 (E_RNA)
where:
Base-Base interactions energy: -649.270
where: short stacking energy: -276.869
Base-Backbone interact. energy: -2.261
local terms energy: -289.555136
where:
bonds (distance) C4'-P energy: -57.620
bonds (distance) P-C4' energy: -57.125
flat angles C4'-P-C4' energy: -58.474
flat angles P-C4'-P energy: -35.859
tors. eta vs tors. theta energy: -80.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -860.994040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.994040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.994040 (E_RNA)
where:
Base-Base interactions energy: -589.488
where: short stacking energy: -234.463
Base-Backbone interact. energy: 0.622
local terms energy: -272.128506
where:
bonds (distance) C4'-P energy: -53.306
bonds (distance) P-C4' energy: -52.206
flat angles C4'-P-C4' energy: -61.434
flat angles P-C4'-P energy: -41.148
tors. eta vs tors. theta energy: -64.033
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: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -879.146936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.146936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.146936 (E_RNA)
where:
Base-Base interactions energy: -618.233
where: short stacking energy: -252.737
Base-Backbone interact. energy: -0.135
local terms energy: -260.778677
where:
bonds (distance) C4'-P energy: -47.405
bonds (distance) P-C4' energy: -42.649
flat angles C4'-P-C4' energy: -58.700
flat angles P-C4'-P energy: -38.273
tors. eta vs tors. theta energy: -73.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -812.833833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.833833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.833833 (E_RNA)
where:
Base-Base interactions energy: -537.386
where: short stacking energy: -232.023
Base-Backbone interact. energy: 0.256
local terms energy: -275.703530
where:
bonds (distance) C4'-P energy: -56.583
bonds (distance) P-C4' energy: -57.123
flat angles C4'-P-C4' energy: -56.057
flat angles P-C4'-P energy: -40.105
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: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -844.591950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.591950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.591950 (E_RNA)
where:
Base-Base interactions energy: -574.661
where: short stacking energy: -243.628
Base-Backbone interact. energy: -1.932
local terms energy: -267.999310
where:
bonds (distance) C4'-P energy: -40.482
bonds (distance) P-C4' energy: -52.628
flat angles C4'-P-C4' energy: -55.819
flat angles P-C4'-P energy: -41.811
tors. eta vs tors. theta energy: -77.260
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: 345
Temperature: 1.150000
Total energy: -745.869656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.869656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.869656 (E_RNA)
where:
Base-Base interactions energy: -483.283
where: short stacking energy: -220.034
Base-Backbone interact. energy: -1.388
local terms energy: -261.199284
where:
bonds (distance) C4'-P energy: -49.626
bonds (distance) P-C4' energy: -44.401
flat angles C4'-P-C4' energy: -59.833
flat angles P-C4'-P energy: -46.791
tors. eta vs tors. theta energy: -60.549
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: 7
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -573.590938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.590938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.590938 (E_RNA)
where:
Base-Base interactions energy: -378.306
where: short stacking energy: -171.450
Base-Backbone interact. energy: -0.646
local terms energy: -194.639546
where:
bonds (distance) C4'-P energy: -45.063
bonds (distance) P-C4' energy: -48.372
flat angles C4'-P-C4' energy: -46.168
flat angles P-C4'-P energy: -22.987
tors. eta vs tors. theta energy: -32.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -429.716064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.716064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.716064 (E_RNA)
where:
Base-Base interactions energy: -240.661
where: short stacking energy: -124.874
Base-Backbone interact. energy: -0.083
local terms energy: -188.971506
where:
bonds (distance) C4'-P energy: -48.858
bonds (distance) P-C4' energy: -46.470
flat angles C4'-P-C4' energy: -46.030
flat angles P-C4'-P energy: -27.394
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -235.798493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.798493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.798493 (E_RNA)
where:
Base-Base interactions energy: -87.278
where: short stacking energy: -70.891
Base-Backbone interact. energy: -0.338
local terms energy: -148.182810
where:
bonds (distance) C4'-P energy: -42.155
bonds (distance) P-C4' energy: -34.715
flat angles C4'-P-C4' energy: -42.798
flat angles P-C4'-P energy: -34.746
tors. eta vs tors. theta energy: 6.231
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: 10, replica: 8
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -221.741222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.741222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.741222 (E_RNA)
where:
Base-Base interactions energy: -72.578
where: short stacking energy: -67.457
Base-Backbone interact. energy: -0.820
local terms energy: -148.343356
where:
bonds (distance) C4'-P energy: -31.757
bonds (distance) P-C4' energy: -53.472
flat angles C4'-P-C4' energy: -41.266
flat angles P-C4'-P energy: -23.021
tors. eta vs tors. theta energy: 1.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -953.353870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.353870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.353870 (E_RNA)
where:
Base-Base interactions energy: -662.536
where: short stacking energy: -257.899
Base-Backbone interact. energy: -2.053
local terms energy: -288.764966
where:
bonds (distance) C4'-P energy: -60.783
bonds (distance) P-C4' energy: -43.620
flat angles C4'-P-C4' energy: -62.710
flat angles P-C4'-P energy: -42.683
tors. eta vs tors. theta energy: -78.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -882.719388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.719388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.719388 (E_RNA)
where:
Base-Base interactions energy: -623.901
where: short stacking energy: -246.140
Base-Backbone interact. energy: -2.008
local terms energy: -256.810026
where:
bonds (distance) C4'-P energy: -50.672
bonds (distance) P-C4' energy: -53.710
flat angles C4'-P-C4' energy: -58.572
flat angles P-C4'-P energy: -28.377
tors. eta vs tors. theta energy: -65.478
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: 346
Temperature: 1.000000
Total energy: -870.212758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.212758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.212758 (E_RNA)
where:
Base-Base interactions energy: -599.610
where: short stacking energy: -248.547
Base-Backbone interact. energy: -1.460
local terms energy: -269.143397
where:
bonds (distance) C4'-P energy: -51.448
bonds (distance) P-C4' energy: -47.120
flat angles C4'-P-C4' energy: -57.175
flat angles P-C4'-P energy: -35.713
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: 4, replica: 10
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -794.134953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.134953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.134953 (E_RNA)
where:
Base-Base interactions energy: -538.749
where: short stacking energy: -233.468
Base-Backbone interact. energy: -0.186
local terms energy: -255.199500
where:
bonds (distance) C4'-P energy: -53.971
bonds (distance) P-C4' energy: -47.278
flat angles C4'-P-C4' energy: -54.217
flat angles P-C4'-P energy: -36.586
tors. eta vs tors. theta energy: -63.148
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: 5
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -814.540775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.540775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.540775 (E_RNA)
where:
Base-Base interactions energy: -543.977
where: short stacking energy: -227.502
Base-Backbone interact. energy: -2.666
local terms energy: -267.898262
where:
bonds (distance) C4'-P energy: -49.877
bonds (distance) P-C4' energy: -46.029
flat angles C4'-P-C4' energy: -61.771
flat angles P-C4'-P energy: -43.982
tors. eta vs tors. theta energy: -66.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -742.404806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.404806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.404806 (E_RNA)
where:
Base-Base interactions energy: -492.084
where: short stacking energy: -221.814
Base-Backbone interact. energy: 0.787
local terms energy: -251.107826
where:
bonds (distance) C4'-P energy: -48.270
bonds (distance) P-C4' energy: -56.321
flat angles C4'-P-C4' energy: -48.181
flat angles P-C4'-P energy: -28.630
tors. eta vs tors. theta energy: -69.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -587.368179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.368179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.368179 (E_RNA)
where:
Base-Base interactions energy: -372.895
where: short stacking energy: -162.788
Base-Backbone interact. energy: -0.325
local terms energy: -214.147538
where:
bonds (distance) C4'-P energy: -32.911
bonds (distance) P-C4' energy: -55.086
flat angles C4'-P-C4' energy: -52.154
flat angles P-C4'-P energy: -32.995
tors. eta vs tors. theta energy: -41.002
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: 8, replica: 4
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -428.005317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.005317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.005317 (E_RNA)
where:
Base-Base interactions energy: -225.794
where: short stacking energy: -131.524
Base-Backbone interact. energy: -1.150
local terms energy: -201.060795
where:
bonds (distance) C4'-P energy: -47.260
bonds (distance) P-C4' energy: -59.456
flat angles C4'-P-C4' energy: -47.764
flat angles P-C4'-P energy: -21.896
tors. eta vs tors. theta energy: -24.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -301.072568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.072568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.072568 (E_RNA)
where:
Base-Base interactions energy: -134.360
where: short stacking energy: -94.634
Base-Backbone interact. energy: -0.115
local terms energy: -166.597565
where:
bonds (distance) C4'-P energy: -52.349
bonds (distance) P-C4' energy: -40.859
flat angles C4'-P-C4' energy: -38.952
flat angles P-C4'-P energy: -27.543
tors. eta vs tors. theta energy: -6.894
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: 346
Temperature: 1.350000
Total energy: -211.675216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.675216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.675216 (E_RNA)
where:
Base-Base interactions energy: -63.130
where: short stacking energy: -54.222
Base-Backbone interact. energy: -1.198
local terms energy: -147.347185
where:
bonds (distance) C4'-P energy: -32.256
bonds (distance) P-C4' energy: -44.178
flat angles C4'-P-C4' energy: -41.763
flat angles P-C4'-P energy: -24.661
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -937.376215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.376215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.376215 (E_RNA)
where:
Base-Base interactions energy: -655.394
where: short stacking energy: -261.032
Base-Backbone interact. energy: 0.313
local terms energy: -282.295000
where:
bonds (distance) C4'-P energy: -51.655
bonds (distance) P-C4' energy: -56.077
flat angles C4'-P-C4' energy: -57.587
flat angles P-C4'-P energy: -37.621
tors. eta vs tors. theta energy: -79.354
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: 347
Temperature: 0.950000
Total energy: -878.007861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.007861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.007861 (E_RNA)
where:
Base-Base interactions energy: -609.749
where: short stacking energy: -252.307
Base-Backbone interact. energy: -1.652
local terms energy: -266.606809
where:
bonds (distance) C4'-P energy: -44.754
bonds (distance) P-C4' energy: -54.802
flat angles C4'-P-C4' energy: -56.995
flat angles P-C4'-P energy: -41.813
tors. eta vs tors. theta energy: -68.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -858.125279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.125279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.125279 (E_RNA)
where:
Base-Base interactions energy: -596.734
where: short stacking energy: -251.450
Base-Backbone interact. energy: 2.488
local terms energy: -263.878845
where:
bonds (distance) C4'-P energy: -52.698
bonds (distance) P-C4' energy: -50.518
flat angles C4'-P-C4' energy: -61.484
flat angles P-C4'-P energy: -29.920
tors. eta vs tors. theta energy: -69.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -840.472439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.472439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.472439 (E_RNA)
where:
Base-Base interactions energy: -582.054
where: short stacking energy: -246.584
Base-Backbone interact. energy: 2.735
local terms energy: -261.153444
where:
bonds (distance) C4'-P energy: -52.440
bonds (distance) P-C4' energy: -43.154
flat angles C4'-P-C4' energy: -55.021
flat angles P-C4'-P energy: -35.727
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: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -776.645711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.645711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.645711 (E_RNA)
where:
Base-Base interactions energy: -540.456
where: short stacking energy: -231.328
Base-Backbone interact. energy: 0.045
local terms energy: -236.234978
where:
bonds (distance) C4'-P energy: -45.800
bonds (distance) P-C4' energy: -54.708
flat angles C4'-P-C4' energy: -50.752
flat angles P-C4'-P energy: -25.526
tors. eta vs tors. theta energy: -59.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -769.204218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.204218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.204218 (E_RNA)
where:
Base-Base interactions energy: -500.746
where: short stacking energy: -214.814
Base-Backbone interact. energy: 2.628
local terms energy: -271.086136
where:
bonds (distance) C4'-P energy: -50.351
bonds (distance) P-C4' energy: -56.131
flat angles C4'-P-C4' energy: -58.780
flat angles P-C4'-P energy: -42.716
tors. eta vs tors. theta energy: -63.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -588.438991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.438991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.438991 (E_RNA)
where:
Base-Base interactions energy: -354.320
where: short stacking energy: -182.441
Base-Backbone interact. energy: 0.234
local terms energy: -234.353307
where:
bonds (distance) C4'-P energy: -52.437
bonds (distance) P-C4' energy: -53.911
flat angles C4'-P-C4' energy: -54.429
flat angles P-C4'-P energy: -30.830
tors. eta vs tors. theta energy: -42.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -431.697963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.697963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.697963 (E_RNA)
where:
Base-Base interactions energy: -228.007
where: short stacking energy: -130.589
Base-Backbone interact. energy: -1.102
local terms energy: -202.589677
where:
bonds (distance) C4'-P energy: -48.729
bonds (distance) P-C4' energy: -53.736
flat angles C4'-P-C4' energy: -44.911
flat angles P-C4'-P energy: -28.049
tors. eta vs tors. theta energy: -27.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -253.918276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.918276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.918276 (E_RNA)
where:
Base-Base interactions energy: -97.103
where: short stacking energy: -81.169
Base-Backbone interact. energy: -2.176
local terms energy: -154.639165
where:
bonds (distance) C4'-P energy: -41.252
bonds (distance) P-C4' energy: -48.236
flat angles C4'-P-C4' energy: -29.897
flat angles P-C4'-P energy: -30.936
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -224.709616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.709616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.709616 (E_RNA)
where:
Base-Base interactions energy: -66.363
where: short stacking energy: -65.763
Base-Backbone interact. energy: -0.746
local terms energy: -157.600334
where:
bonds (distance) C4'-P energy: -36.768
bonds (distance) P-C4' energy: -45.317
flat angles C4'-P-C4' energy: -49.038
flat angles P-C4'-P energy: -25.806
tors. eta vs tors. theta energy: -0.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -900.732218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.732218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.732218 (E_RNA)
where:
Base-Base interactions energy: -633.618
where: short stacking energy: -250.882
Base-Backbone interact. energy: -1.117
local terms energy: -265.997123
where:
bonds (distance) C4'-P energy: -48.787
bonds (distance) P-C4' energy: -50.139
flat angles C4'-P-C4' energy: -54.780
flat angles P-C4'-P energy: -43.927
tors. eta vs tors. theta energy: -68.363
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: 2, replica: 3
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -906.452167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.452167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.452167 (E_RNA)
where:
Base-Base interactions energy: -627.527
where: short stacking energy: -270.575
Base-Backbone interact. energy: 0.224
local terms energy: -279.149230
where:
bonds (distance) C4'-P energy: -51.144
bonds (distance) P-C4' energy: -47.740
flat angles C4'-P-C4' energy: -64.556
flat angles P-C4'-P energy: -33.068
tors. eta vs tors. theta energy: -82.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -875.563691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.563691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.563691 (E_RNA)
where:
Base-Base interactions energy: -610.424
where: short stacking energy: -242.711
Base-Backbone interact. energy: -0.417
local terms energy: -264.722233
where:
bonds (distance) C4'-P energy: -52.445
bonds (distance) P-C4' energy: -51.564
flat angles C4'-P-C4' energy: -53.966
flat angles P-C4'-P energy: -37.920
tors. eta vs tors. theta energy: -68.827
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: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -835.116457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.116457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.116457 (E_RNA)
where:
Base-Base interactions energy: -581.328
where: short stacking energy: -229.010
Base-Backbone interact. energy: -0.925
local terms energy: -252.863168
where:
bonds (distance) C4'-P energy: -40.689
bonds (distance) P-C4' energy: -51.366
flat angles C4'-P-C4' energy: -59.217
flat angles P-C4'-P energy: -39.119
tors. eta vs tors. theta energy: -62.473
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: 5, replica: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -780.851172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.851172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.851172 (E_RNA)
where:
Base-Base interactions energy: -527.393
where: short stacking energy: -243.511
Base-Backbone interact. energy: -1.083
local terms energy: -252.375527
where:
bonds (distance) C4'-P energy: -46.265
bonds (distance) P-C4' energy: -49.429
flat angles C4'-P-C4' energy: -51.695
flat angles P-C4'-P energy: -35.407
tors. eta vs tors. theta energy: -69.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -746.951944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.951944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.951944 (E_RNA)
where:
Base-Base interactions energy: -502.472
where: short stacking energy: -224.324
Base-Backbone interact. energy: -0.242
local terms energy: -244.237499
where:
bonds (distance) C4'-P energy: -47.623
bonds (distance) P-C4' energy: -50.598
flat angles C4'-P-C4' energy: -58.091
flat angles P-C4'-P energy: -26.922
tors. eta vs tors. theta energy: -61.005
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: 348
Temperature: 1.200000
Total energy: -599.997210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.997210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.997210 (E_RNA)
where:
Base-Base interactions energy: -393.820
where: short stacking energy: -178.398
Base-Backbone interact. energy: 0.243
local terms energy: -206.419474
where:
bonds (distance) C4'-P energy: -37.266
bonds (distance) P-C4' energy: -44.449
flat angles C4'-P-C4' energy: -45.280
flat angles P-C4'-P energy: -35.202
tors. eta vs tors. theta energy: -44.223
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: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -400.510950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.510950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.510950 (E_RNA)
where:
Base-Base interactions energy: -214.442
where: short stacking energy: -107.410
Base-Backbone interact. energy: -0.206
local terms energy: -185.862667
where:
bonds (distance) C4'-P energy: -53.592
bonds (distance) P-C4' energy: -45.736
flat angles C4'-P-C4' energy: -41.627
flat angles P-C4'-P energy: -30.964
tors. eta vs tors. theta energy: -13.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -243.207494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.207494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.207494 (E_RNA)
where:
Base-Base interactions energy: -96.629
where: short stacking energy: -77.042
Base-Backbone interact. energy: -2.953
local terms energy: -143.625540
where:
bonds (distance) C4'-P energy: -47.871
bonds (distance) P-C4' energy: -42.706
flat angles C4'-P-C4' energy: -42.807
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: 4.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -244.410123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.410123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.410123 (E_RNA)
where:
Base-Base interactions energy: -87.602
where: short stacking energy: -80.394
Base-Backbone interact. energy: -2.849
local terms energy: -153.958899
where:
bonds (distance) C4'-P energy: -51.109
bonds (distance) P-C4' energy: -36.274
flat angles C4'-P-C4' energy: -39.447
flat angles P-C4'-P energy: -22.969
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -915.798490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.798490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.798490 (E_RNA)
where:
Base-Base interactions energy: -639.945
where: short stacking energy: -259.498
Base-Backbone interact. energy: -0.420
local terms energy: -275.433862
where:
bonds (distance) C4'-P energy: -58.841
bonds (distance) P-C4' energy: -44.229
flat angles C4'-P-C4' energy: -55.907
flat angles P-C4'-P energy: -43.903
tors. eta vs tors. theta energy: -72.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -913.370779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.370779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.370779 (E_RNA)
where:
Base-Base interactions energy: -642.437
where: short stacking energy: -261.280
Base-Backbone interact. energy: 0.324
local terms energy: -271.257676
where:
bonds (distance) C4'-P energy: -49.432
bonds (distance) P-C4' energy: -40.408
flat angles C4'-P-C4' energy: -62.267
flat angles P-C4'-P energy: -39.168
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: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -891.523361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.523361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.523361 (E_RNA)
where:
Base-Base interactions energy: -616.449
where: short stacking energy: -259.892
Base-Backbone interact. energy: -1.240
local terms energy: -273.834257
where:
bonds (distance) C4'-P energy: -44.161
bonds (distance) P-C4' energy: -56.113
flat angles C4'-P-C4' energy: -54.277
flat angles P-C4'-P energy: -41.440
tors. eta vs tors. theta energy: -77.843
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: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -804.625327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.625327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.625327 (E_RNA)
where:
Base-Base interactions energy: -569.771
where: short stacking energy: -243.429
Base-Backbone interact. energy: -2.177
local terms energy: -232.677268
where:
bonds (distance) C4'-P energy: -48.316
bonds (distance) P-C4' energy: -51.547
flat angles C4'-P-C4' energy: -45.642
flat angles P-C4'-P energy: -34.114
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: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -799.448787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.448787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.448787 (E_RNA)
where:
Base-Base interactions energy: -534.859
where: short stacking energy: -226.289
Base-Backbone interact. energy: -0.537
local terms energy: -264.052792
where:
bonds (distance) C4'-P energy: -47.608
bonds (distance) P-C4' energy: -49.832
flat angles C4'-P-C4' energy: -63.026
flat angles P-C4'-P energy: -32.666
tors. eta vs tors. theta energy: -70.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -764.268108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.268108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.268108 (E_RNA)
where:
Base-Base interactions energy: -526.727
where: short stacking energy: -243.138
Base-Backbone interact. energy: 0.224
local terms energy: -237.764669
where:
bonds (distance) C4'-P energy: -35.740
bonds (distance) P-C4' energy: -46.813
flat angles C4'-P-C4' energy: -53.668
flat angles P-C4'-P energy: -34.409
tors. eta vs tors. theta energy: -67.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -598.333865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.333865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.333865 (E_RNA)
where:
Base-Base interactions energy: -372.774
where: short stacking energy: -162.402
Base-Backbone interact. energy: 0.705
local terms energy: -226.265854
where:
bonds (distance) C4'-P energy: -39.851
bonds (distance) P-C4' energy: -42.834
flat angles C4'-P-C4' energy: -59.639
flat angles P-C4'-P energy: -43.456
tors. eta vs tors. theta energy: -40.486
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: 8, replica: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -439.137379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.137379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.137379 (E_RNA)
where:
Base-Base interactions energy: -241.531
where: short stacking energy: -127.617
Base-Backbone interact. energy: 2.518
local terms energy: -200.123945
where:
bonds (distance) C4'-P energy: -49.800
bonds (distance) P-C4' energy: -47.554
flat angles C4'-P-C4' energy: -45.955
flat angles P-C4'-P energy: -28.900
tors. eta vs tors. theta energy: -27.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -253.483749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.483749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.483749 (E_RNA)
where:
Base-Base interactions energy: -102.807
where: short stacking energy: -80.717
Base-Backbone interact. energy: 0.306
local terms energy: -150.983101
where:
bonds (distance) C4'-P energy: -56.612
bonds (distance) P-C4' energy: -33.582
flat angles C4'-P-C4' energy: -35.389
flat angles P-C4'-P energy: -23.126
tors. eta vs tors. theta energy: -2.274
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: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -236.235354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.235354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.235354 (E_RNA)
where:
Base-Base interactions energy: -72.874
where: short stacking energy: -63.435
Base-Backbone interact. energy: -0.802
local terms energy: -162.559572
where:
bonds (distance) C4'-P energy: -51.014
bonds (distance) P-C4' energy: -46.751
flat angles C4'-P-C4' energy: -42.130
flat angles P-C4'-P energy: -20.030
tors. eta vs tors. theta energy: -2.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -936.737185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.737185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.737185 (E_RNA)
where:
Base-Base interactions energy: -643.703
where: short stacking energy: -274.383
Base-Backbone interact. energy: -1.572
local terms energy: -291.461898
where:
bonds (distance) C4'-P energy: -58.249
bonds (distance) P-C4' energy: -58.355
flat angles C4'-P-C4' energy: -55.867
flat angles P-C4'-P energy: -39.968
tors. eta vs tors. theta energy: -79.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -902.803055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.803055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.803055 (E_RNA)
where:
Base-Base interactions energy: -637.981
where: short stacking energy: -265.841
Base-Backbone interact. energy: -0.872
local terms energy: -263.950051
where:
bonds (distance) C4'-P energy: -50.985
bonds (distance) P-C4' energy: -47.404
flat angles C4'-P-C4' energy: -53.511
flat angles P-C4'-P energy: -36.570
tors. eta vs tors. theta energy: -75.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -883.422066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.422066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.422066 (E_RNA)
where:
Base-Base interactions energy: -614.900
where: short stacking energy: -254.310
Base-Backbone interact. energy: 0.476
local terms energy: -268.997209
where:
bonds (distance) C4'-P energy: -33.920
bonds (distance) P-C4' energy: -55.797
flat angles C4'-P-C4' energy: -58.890
flat angles P-C4'-P energy: -42.517
tors. eta vs tors. theta energy: -77.873
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: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -809.240731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.240731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.240731 (E_RNA)
where:
Base-Base interactions energy: -551.507
where: short stacking energy: -219.140
Base-Backbone interact. energy: -1.710
local terms energy: -256.023719
where:
bonds (distance) C4'-P energy: -50.566
bonds (distance) P-C4' energy: -54.133
flat angles C4'-P-C4' energy: -49.737
flat angles P-C4'-P energy: -41.317
tors. eta vs tors. theta energy: -60.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -766.552521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.552521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.552521 (E_RNA)
where:
Base-Base interactions energy: -512.804
where: short stacking energy: -240.723
Base-Backbone interact. energy: -0.065
local terms energy: -253.683174
where:
bonds (distance) C4'-P energy: -53.043
bonds (distance) P-C4' energy: -50.650
flat angles C4'-P-C4' energy: -53.060
flat angles P-C4'-P energy: -35.433
tors. eta vs tors. theta energy: -61.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -748.246155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.246155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.246155 (E_RNA)
where:
Base-Base interactions energy: -505.709
where: short stacking energy: -224.849
Base-Backbone interact. energy: -1.378
local terms energy: -241.159138
where:
bonds (distance) C4'-P energy: -48.007
bonds (distance) P-C4' energy: -42.452
flat angles C4'-P-C4' energy: -54.234
flat angles P-C4'-P energy: -33.962
tors. eta vs tors. theta energy: -62.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -594.825656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.825656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.825656 (E_RNA)
where:
Base-Base interactions energy: -372.128
where: short stacking energy: -170.292
Base-Backbone interact. energy: 2.907
local terms energy: -225.604052
where:
bonds (distance) C4'-P energy: -44.740
bonds (distance) P-C4' energy: -49.086
flat angles C4'-P-C4' energy: -51.207
flat angles P-C4'-P energy: -37.308
tors. eta vs tors. theta energy: -43.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -444.722056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.722056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.722056 (E_RNA)
where:
Base-Base interactions energy: -259.359
where: short stacking energy: -132.137
Base-Backbone interact. energy: 1.444
local terms energy: -186.806663
where:
bonds (distance) C4'-P energy: -46.856
bonds (distance) P-C4' energy: -46.105
flat angles C4'-P-C4' energy: -45.674
flat angles P-C4'-P energy: -23.130
tors. eta vs tors. theta energy: -25.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -242.751120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.751120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.751120 (E_RNA)
where:
Base-Base interactions energy: -100.484
where: short stacking energy: -80.473
Base-Backbone interact. energy: 1.223
local terms energy: -143.489447
where:
bonds (distance) C4'-P energy: -35.271
bonds (distance) P-C4' energy: -45.717
flat angles C4'-P-C4' energy: -42.258
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: 0.864
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: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -238.798865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.798865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.798865 (E_RNA)
where:
Base-Base interactions energy: -71.735
where: short stacking energy: -61.531
Base-Backbone interact. energy: -2.079
local terms energy: -164.984859
where:
bonds (distance) C4'-P energy: -43.752
bonds (distance) P-C4' energy: -56.330
flat angles C4'-P-C4' energy: -34.697
flat angles P-C4'-P energy: -23.650
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -932.369159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.369159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.369159 (E_RNA)
where:
Base-Base interactions energy: -652.307
where: short stacking energy: -279.212
Base-Backbone interact. energy: -1.497
local terms energy: -278.565303
where:
bonds (distance) C4'-P energy: -53.060
bonds (distance) P-C4' energy: -48.124
flat angles C4'-P-C4' energy: -57.051
flat angles P-C4'-P energy: -41.278
tors. eta vs tors. theta energy: -79.053
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: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -911.701589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.701589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.701589 (E_RNA)
where:
Base-Base interactions energy: -637.459
where: short stacking energy: -266.598
Base-Backbone interact. energy: 0.337
local terms energy: -274.580072
where:
bonds (distance) C4'-P energy: -43.525
bonds (distance) P-C4' energy: -51.063
flat angles C4'-P-C4' energy: -58.223
flat angles P-C4'-P energy: -40.827
tors. eta vs tors. theta energy: -80.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -881.553220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.553220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.553220 (E_RNA)
where:
Base-Base interactions energy: -614.653
where: short stacking energy: -260.687
Base-Backbone interact. energy: 1.388
local terms energy: -268.287981
where:
bonds (distance) C4'-P energy: -49.826
bonds (distance) P-C4' energy: -57.681
flat angles C4'-P-C4' energy: -50.274
flat angles P-C4'-P energy: -32.374
tors. eta vs tors. theta energy: -78.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -797.493873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.493873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.493873 (E_RNA)
where:
Base-Base interactions energy: -536.317
where: short stacking energy: -226.344
Base-Backbone interact. energy: -0.381
local terms energy: -260.795761
where:
bonds (distance) C4'-P energy: -47.128
bonds (distance) P-C4' energy: -52.950
flat angles C4'-P-C4' energy: -54.045
flat angles P-C4'-P energy: -35.432
tors. eta vs tors. theta energy: -71.242
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: 351
Temperature: 1.100000
Total energy: -846.816301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.816301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.816301 (E_RNA)
where:
Base-Base interactions energy: -576.351
where: short stacking energy: -239.339
Base-Backbone interact. energy: -0.821
local terms energy: -269.644698
where:
bonds (distance) C4'-P energy: -49.793
bonds (distance) P-C4' energy: -47.616
flat angles C4'-P-C4' energy: -56.049
flat angles P-C4'-P energy: -45.197
tors. eta vs tors. theta energy: -70.990
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: 10
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -753.639106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.639106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.639106 (E_RNA)
where:
Base-Base interactions energy: -527.415
where: short stacking energy: -221.479
Base-Backbone interact. energy: 3.079
local terms energy: -229.303912
where:
bonds (distance) C4'-P energy: -42.695
bonds (distance) P-C4' energy: -46.698
flat angles C4'-P-C4' energy: -56.216
flat angles P-C4'-P energy: -26.755
tors. eta vs tors. theta energy: -56.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -622.536521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.536521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.536521 (E_RNA)
where:
Base-Base interactions energy: -399.365
where: short stacking energy: -182.812
Base-Backbone interact. energy: 0.782
local terms energy: -223.953499
where:
bonds (distance) C4'-P energy: -46.833
bonds (distance) P-C4' energy: -48.346
flat angles C4'-P-C4' energy: -50.977
flat angles P-C4'-P energy: -27.586
tors. eta vs tors. theta energy: -50.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -454.540573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.540573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.540573 (E_RNA)
where:
Base-Base interactions energy: -255.796
where: short stacking energy: -137.817
Base-Backbone interact. energy: -1.901
local terms energy: -196.843126
where:
bonds (distance) C4'-P energy: -38.710
bonds (distance) P-C4' energy: -47.465
flat angles C4'-P-C4' energy: -49.868
flat angles P-C4'-P energy: -33.247
tors. eta vs tors. theta energy: -27.554
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: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -255.301402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.301402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.301402 (E_RNA)
where:
Base-Base interactions energy: -98.290
where: short stacking energy: -91.562
Base-Backbone interact. energy: 0.076
local terms energy: -157.086820
where:
bonds (distance) C4'-P energy: -45.295
bonds (distance) P-C4' energy: -38.231
flat angles C4'-P-C4' energy: -44.318
flat angles P-C4'-P energy: -26.184
tors. eta vs tors. theta energy: -3.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -232.701644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.701644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.701644 (E_RNA)
where:
Base-Base interactions energy: -97.518
where: short stacking energy: -86.408
Base-Backbone interact. energy: 1.978
local terms energy: -137.161834
where:
bonds (distance) C4'-P energy: -47.177
bonds (distance) P-C4' energy: -46.600
flat angles C4'-P-C4' energy: -23.405
flat angles P-C4'-P energy: -28.280
tors. eta vs tors. theta energy: 8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -925.089188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.089188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.089188 (E_RNA)
where:
Base-Base interactions energy: -651.591
where: short stacking energy: -278.643
Base-Backbone interact. energy: -1.618
local terms energy: -271.880946
where:
bonds (distance) C4'-P energy: -40.712
bonds (distance) P-C4' energy: -47.114
flat angles C4'-P-C4' energy: -62.228
flat angles P-C4'-P energy: -37.203
tors. eta vs tors. theta energy: -84.624
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: 352
Temperature: 0.950000
Total energy: -895.166553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.166553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.166553 (E_RNA)
where:
Base-Base interactions energy: -605.735
where: short stacking energy: -256.322
Base-Backbone interact. energy: -1.846
local terms energy: -287.585864
where:
bonds (distance) C4'-P energy: -54.306
bonds (distance) P-C4' energy: -53.332
flat angles C4'-P-C4' energy: -58.833
flat angles P-C4'-P energy: -40.038
tors. eta vs tors. theta energy: -81.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -906.866910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.866910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.866910 (E_RNA)
where:
Base-Base interactions energy: -623.900
where: short stacking energy: -241.168
Base-Backbone interact. energy: -2.315
local terms energy: -280.651813
where:
bonds (distance) C4'-P energy: -62.702
bonds (distance) P-C4' energy: -55.005
flat angles C4'-P-C4' energy: -52.319
flat angles P-C4'-P energy: -34.671
tors. eta vs tors. theta energy: -75.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -825.914133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.914133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.914133 (E_RNA)
where:
Base-Base interactions energy: -567.387
where: short stacking energy: -240.796
Base-Backbone interact. energy: -2.439
local terms energy: -256.088331
where:
bonds (distance) C4'-P energy: -44.920
bonds (distance) P-C4' energy: -44.988
flat angles C4'-P-C4' energy: -55.206
flat angles P-C4'-P energy: -40.035
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: 5, replica: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -786.828999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.828999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.828999 (E_RNA)
where:
Base-Base interactions energy: -539.478
where: short stacking energy: -235.083
Base-Backbone interact. energy: -0.666
local terms energy: -246.684804
where:
bonds (distance) C4'-P energy: -48.026
bonds (distance) P-C4' energy: -49.299
flat angles C4'-P-C4' energy: -47.928
flat angles P-C4'-P energy: -33.012
tors. eta vs tors. theta energy: -68.421
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: 6, replica: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -798.024249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.024249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.024249 (E_RNA)
where:
Base-Base interactions energy: -554.567
where: short stacking energy: -238.315
Base-Backbone interact. energy: -1.126
local terms energy: -242.331178
where:
bonds (distance) C4'-P energy: -49.771
bonds (distance) P-C4' energy: -49.160
flat angles C4'-P-C4' energy: -42.965
flat angles P-C4'-P energy: -36.134
tors. eta vs tors. theta energy: -64.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -640.735015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.735015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.735015 (E_RNA)
where:
Base-Base interactions energy: -412.475
where: short stacking energy: -173.672
Base-Backbone interact. energy: -0.243
local terms energy: -228.016743
where:
bonds (distance) C4'-P energy: -52.197
bonds (distance) P-C4' energy: -46.639
flat angles C4'-P-C4' energy: -47.852
flat angles P-C4'-P energy: -37.341
tors. eta vs tors. theta energy: -43.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -448.642410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.642410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.642410 (E_RNA)
where:
Base-Base interactions energy: -257.995
where: short stacking energy: -136.586
Base-Backbone interact. energy: 3.893
local terms energy: -194.540895
where:
bonds (distance) C4'-P energy: -52.538
bonds (distance) P-C4' energy: -46.374
flat angles C4'-P-C4' energy: -43.208
flat angles P-C4'-P energy: -31.648
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: 9, replica: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -237.512217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.512217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.512217 (E_RNA)
where:
Base-Base interactions energy: -80.880
where: short stacking energy: -73.781
Base-Backbone interact. energy: 0.442
local terms energy: -157.073742
where:
bonds (distance) C4'-P energy: -53.572
bonds (distance) P-C4' energy: -47.934
flat angles C4'-P-C4' energy: -43.406
flat angles P-C4'-P energy: -17.557
tors. eta vs tors. theta energy: 5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -239.264401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.264401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.264401 (E_RNA)
where:
Base-Base interactions energy: -87.469
where: short stacking energy: -66.623
Base-Backbone interact. energy: 1.496
local terms energy: -153.291344
where:
bonds (distance) C4'-P energy: -44.294
bonds (distance) P-C4' energy: -47.173
flat angles C4'-P-C4' energy: -42.075
flat angles P-C4'-P energy: -18.325
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -933.550204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.550204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.550204 (E_RNA)
where:
Base-Base interactions energy: -640.834
where: short stacking energy: -278.578
Base-Backbone interact. energy: -1.081
local terms energy: -291.635100
where:
bonds (distance) C4'-P energy: -53.098
bonds (distance) P-C4' energy: -51.692
flat angles C4'-P-C4' energy: -60.899
flat angles P-C4'-P energy: -38.207
tors. eta vs tors. theta energy: -87.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -892.492552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.492552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.492552 (E_RNA)
where:
Base-Base interactions energy: -611.047
where: short stacking energy: -241.604
Base-Backbone interact. energy: -1.214
local terms energy: -280.231016
where:
bonds (distance) C4'-P energy: -50.968
bonds (distance) P-C4' energy: -55.353
flat angles C4'-P-C4' energy: -61.070
flat angles P-C4'-P energy: -41.348
tors. eta vs tors. theta energy: -71.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -870.133526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.133526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.133526 (E_RNA)
where:
Base-Base interactions energy: -612.315
where: short stacking energy: -241.044
Base-Backbone interact. energy: -1.214
local terms energy: -256.604063
where:
bonds (distance) C4'-P energy: -47.505
bonds (distance) P-C4' energy: -46.696
flat angles C4'-P-C4' energy: -55.234
flat angles P-C4'-P energy: -41.218
tors. eta vs tors. theta energy: -65.951
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: 4, replica: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -816.596995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.596995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.596995 (E_RNA)
where:
Base-Base interactions energy: -528.682
where: short stacking energy: -218.587
Base-Backbone interact. energy: 2.388
local terms energy: -290.303629
where:
bonds (distance) C4'-P energy: -53.781
bonds (distance) P-C4' energy: -57.888
flat angles C4'-P-C4' energy: -62.094
flat angles P-C4'-P energy: -41.524
tors. eta vs tors. theta energy: -75.017
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: 10
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -817.972112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.972112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.972112 (E_RNA)
where:
Base-Base interactions energy: -566.746
where: short stacking energy: -220.900
Base-Backbone interact. energy: -0.482
local terms energy: -250.744301
where:
bonds (distance) C4'-P energy: -51.203
bonds (distance) P-C4' energy: -54.658
flat angles C4'-P-C4' energy: -56.962
flat angles P-C4'-P energy: -32.016
tors. eta vs tors. theta energy: -55.905
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: 353
Temperature: 1.150000
Total energy: -789.893564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.893564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.893564 (E_RNA)
where:
Base-Base interactions energy: -538.444
where: short stacking energy: -221.307
Base-Backbone interact. energy: -1.447
local terms energy: -250.002564
where:
bonds (distance) C4'-P energy: -44.402
bonds (distance) P-C4' energy: -52.430
flat angles C4'-P-C4' energy: -53.839
flat angles P-C4'-P energy: -36.065
tors. eta vs tors. theta energy: -63.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -639.748816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.748816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.748816 (E_RNA)
where:
Base-Base interactions energy: -401.825
where: short stacking energy: -181.917
Base-Backbone interact. energy: 0.092
local terms energy: -238.015675
where:
bonds (distance) C4'-P energy: -50.852
bonds (distance) P-C4' energy: -54.198
flat angles C4'-P-C4' energy: -50.503
flat angles P-C4'-P energy: -37.488
tors. eta vs tors. theta energy: -44.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -419.213015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.213015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.213015 (E_RNA)
where:
Base-Base interactions energy: -229.025
where: short stacking energy: -110.132
Base-Backbone interact. energy: -1.958
local terms energy: -188.230020
where:
bonds (distance) C4'-P energy: -39.210
bonds (distance) P-C4' energy: -46.687
flat angles C4'-P-C4' energy: -43.666
flat angles P-C4'-P energy: -38.691
tors. eta vs tors. theta energy: -19.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -249.782909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.782909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.782909 (E_RNA)
where:
Base-Base interactions energy: -90.916
where: short stacking energy: -54.239
Base-Backbone interact. energy: -1.547
local terms energy: -157.319916
where:
bonds (distance) C4'-P energy: -51.324
bonds (distance) P-C4' energy: -42.852
flat angles C4'-P-C4' energy: -39.583
flat angles P-C4'-P energy: -30.753
tors. eta vs tors. theta energy: 7.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -220.777295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.777295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.777295 (E_RNA)
where:
Base-Base interactions energy: -86.182
where: short stacking energy: -51.225
Base-Backbone interact. energy: -0.572
local terms energy: -134.023217
where:
bonds (distance) C4'-P energy: -37.014
bonds (distance) P-C4' energy: -51.694
flat angles C4'-P-C4' energy: -31.415
flat angles P-C4'-P energy: -23.451
tors. eta vs tors. theta energy: 9.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -923.782389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.782389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.782389 (E_RNA)
where:
Base-Base interactions energy: -632.932
where: short stacking energy: -266.273
Base-Backbone interact. energy: 1.384
local terms energy: -292.234143
where:
bonds (distance) C4'-P energy: -54.702
bonds (distance) P-C4' energy: -54.719
flat angles C4'-P-C4' energy: -57.397
flat angles P-C4'-P energy: -45.460
tors. eta vs tors. theta energy: -79.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -906.608647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.608647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.608647 (E_RNA)
where:
Base-Base interactions energy: -631.540
where: short stacking energy: -246.225
Base-Backbone interact. energy: -1.518
local terms energy: -273.550221
where:
bonds (distance) C4'-P energy: -56.565
bonds (distance) P-C4' energy: -55.777
flat angles C4'-P-C4' energy: -60.313
flat angles P-C4'-P energy: -37.069
tors. eta vs tors. theta energy: -63.827
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: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -880.641186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.641186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.641186 (E_RNA)
where:
Base-Base interactions energy: -623.442
where: short stacking energy: -248.687
Base-Backbone interact. energy: -1.860
local terms energy: -255.339396
where:
bonds (distance) C4'-P energy: -36.777
bonds (distance) P-C4' energy: -53.607
flat angles C4'-P-C4' energy: -56.764
flat angles P-C4'-P energy: -41.041
tors. eta vs tors. theta energy: -67.151
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: 354
Temperature: 1.050000
Total energy: -807.430114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.430114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.430114 (E_RNA)
where:
Base-Base interactions energy: -539.813
where: short stacking energy: -236.603
Base-Backbone interact. energy: -1.735
local terms energy: -265.882239
where:
bonds (distance) C4'-P energy: -51.504
bonds (distance) P-C4' energy: -51.685
flat angles C4'-P-C4' energy: -58.797
flat angles P-C4'-P energy: -36.680
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: 5, replica: 10
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -787.620131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.620131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.620131 (E_RNA)
where:
Base-Base interactions energy: -556.911
where: short stacking energy: -228.045
Base-Backbone interact. energy: 0.938
local terms energy: -231.646689
where:
bonds (distance) C4'-P energy: -41.108
bonds (distance) P-C4' energy: -45.148
flat angles C4'-P-C4' energy: -59.744
flat angles P-C4'-P energy: -32.174
tors. eta vs tors. theta energy: -53.473
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: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -769.131761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.131761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.131761 (E_RNA)
where:
Base-Base interactions energy: -541.995
where: short stacking energy: -205.634
Base-Backbone interact. energy: 0.388
local terms energy: -227.524517
where:
bonds (distance) C4'-P energy: -38.113
bonds (distance) P-C4' energy: -50.053
flat angles C4'-P-C4' energy: -50.378
flat angles P-C4'-P energy: -33.737
tors. eta vs tors. theta energy: -55.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -614.306300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.306300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.306300 (E_RNA)
where:
Base-Base interactions energy: -415.377
where: short stacking energy: -175.124
Base-Backbone interact. energy: -0.439
local terms energy: -198.490111
where:
bonds (distance) C4'-P energy: -42.028
bonds (distance) P-C4' energy: -42.069
flat angles C4'-P-C4' energy: -51.628
flat angles P-C4'-P energy: -30.291
tors. eta vs tors. theta energy: -32.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -419.181937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.181937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.181937 (E_RNA)
where:
Base-Base interactions energy: -229.491
where: short stacking energy: -124.987
Base-Backbone interact. energy: 0.960
local terms energy: -190.650456
where:
bonds (distance) C4'-P energy: -45.339
bonds (distance) P-C4' energy: -44.848
flat angles C4'-P-C4' energy: -39.144
flat angles P-C4'-P energy: -36.126
tors. eta vs tors. theta energy: -25.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -244.142347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.142347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.142347 (E_RNA)
where:
Base-Base interactions energy: -62.919
where: short stacking energy: -57.903
Base-Backbone interact. energy: -1.151
local terms energy: -180.073210
where:
bonds (distance) C4'-P energy: -53.021
bonds (distance) P-C4' energy: -50.220
flat angles C4'-P-C4' energy: -39.730
flat angles P-C4'-P energy: -31.822
tors. eta vs tors. theta energy: -5.281
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: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -257.496855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.496855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.496855 (E_RNA)
where:
Base-Base interactions energy: -86.478
where: short stacking energy: -78.575
Base-Backbone interact. energy: 1.294
local terms energy: -172.312811
where:
bonds (distance) C4'-P energy: -42.266
bonds (distance) P-C4' energy: -58.876
flat angles C4'-P-C4' energy: -40.625
flat angles P-C4'-P energy: -23.852
tors. eta vs tors. theta energy: -6.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -930.845741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.845741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.845741 (E_RNA)
where:
Base-Base interactions energy: -655.248
where: short stacking energy: -275.761
Base-Backbone interact. energy: -0.483
local terms energy: -275.115392
where:
bonds (distance) C4'-P energy: -49.638
bonds (distance) P-C4' energy: -50.155
flat angles C4'-P-C4' energy: -54.496
flat angles P-C4'-P energy: -39.548
tors. eta vs tors. theta energy: -81.278
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: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -885.950543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.950543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.950543 (E_RNA)
where:
Base-Base interactions energy: -622.066
where: short stacking energy: -236.120
Base-Backbone interact. energy: 0.622
local terms energy: -264.506588
where:
bonds (distance) C4'-P energy: -48.283
bonds (distance) P-C4' energy: -57.165
flat angles C4'-P-C4' energy: -55.130
flat angles P-C4'-P energy: -35.969
tors. eta vs tors. theta energy: -67.959
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: 355
Temperature: 1.000000
Total energy: -883.556830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.556830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.556830 (E_RNA)
where:
Base-Base interactions energy: -621.027
where: short stacking energy: -248.066
Base-Backbone interact. energy: -0.633
local terms energy: -261.897084
where:
bonds (distance) C4'-P energy: -44.264
bonds (distance) P-C4' energy: -53.883
flat angles C4'-P-C4' energy: -56.194
flat angles P-C4'-P energy: -39.658
tors. eta vs tors. theta energy: -67.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -825.870554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.870554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.870554 (E_RNA)
where:
Base-Base interactions energy: -552.612
where: short stacking energy: -256.830
Base-Backbone interact. energy: -1.221
local terms energy: -272.037695
where:
bonds (distance) C4'-P energy: -49.694
bonds (distance) P-C4' energy: -55.150
flat angles C4'-P-C4' energy: -54.670
flat angles P-C4'-P energy: -36.756
tors. eta vs tors. theta energy: -75.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -763.105220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.105220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.105220 (E_RNA)
where:
Base-Base interactions energy: -513.258
where: short stacking energy: -223.695
Base-Backbone interact. energy: -1.644
local terms energy: -248.203176
where:
bonds (distance) C4'-P energy: -51.584
bonds (distance) P-C4' energy: -49.841
flat angles C4'-P-C4' energy: -46.915
flat angles P-C4'-P energy: -38.920
tors. eta vs tors. theta energy: -60.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -744.180274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.180274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.180274 (E_RNA)
where:
Base-Base interactions energy: -517.145
where: short stacking energy: -215.241
Base-Backbone interact. energy: -0.675
local terms energy: -226.359758
where:
bonds (distance) C4'-P energy: -38.356
bonds (distance) P-C4' energy: -35.142
flat angles C4'-P-C4' energy: -52.573
flat angles P-C4'-P energy: -36.245
tors. eta vs tors. theta energy: -64.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -604.043830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.043830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.043830 (E_RNA)
where:
Base-Base interactions energy: -389.830
where: short stacking energy: -164.529
Base-Backbone interact. energy: 0.466
local terms energy: -214.679151
where:
bonds (distance) C4'-P energy: -47.658
bonds (distance) P-C4' energy: -50.757
flat angles C4'-P-C4' energy: -47.025
flat angles P-C4'-P energy: -30.222
tors. eta vs tors. theta energy: -39.016
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: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -416.674175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.674175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.674175 (E_RNA)
where:
Base-Base interactions energy: -242.280
where: short stacking energy: -145.352
Base-Backbone interact. energy: -0.123
local terms energy: -174.270798
where:
bonds (distance) C4'-P energy: -38.896
bonds (distance) P-C4' energy: -29.837
flat angles C4'-P-C4' energy: -49.567
flat angles P-C4'-P energy: -27.573
tors. eta vs tors. theta energy: -28.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -257.424089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.424089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.424089 (E_RNA)
where:
Base-Base interactions energy: -90.427
where: short stacking energy: -87.978
Base-Backbone interact. energy: -0.212
local terms energy: -166.784444
where:
bonds (distance) C4'-P energy: -38.377
bonds (distance) P-C4' energy: -54.206
flat angles C4'-P-C4' energy: -36.512
flat angles P-C4'-P energy: -32.124
tors. eta vs tors. theta energy: -5.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -283.223381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.223381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.223381 (E_RNA)
where:
Base-Base interactions energy: -132.906
where: short stacking energy: -80.501
Base-Backbone interact. energy: 1.203
local terms energy: -151.520576
where:
bonds (distance) C4'-P energy: -46.267
bonds (distance) P-C4' energy: -39.208
flat angles C4'-P-C4' energy: -39.492
flat angles P-C4'-P energy: -27.972
tors. eta vs tors. theta energy: 1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -919.972475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.972475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.972475 (E_RNA)
where:
Base-Base interactions energy: -654.725
where: short stacking energy: -257.259
Base-Backbone interact. energy: -1.281
local terms energy: -263.966121
where:
bonds (distance) C4'-P energy: -55.221
bonds (distance) P-C4' energy: -47.675
flat angles C4'-P-C4' energy: -56.097
flat angles P-C4'-P energy: -34.730
tors. eta vs tors. theta energy: -70.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -924.430040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.430040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.430040 (E_RNA)
where:
Base-Base interactions energy: -625.747
where: short stacking energy: -270.670
Base-Backbone interact. energy: -0.109
local terms energy: -298.574083
where:
bonds (distance) C4'-P energy: -49.487
bonds (distance) P-C4' energy: -60.733
flat angles C4'-P-C4' energy: -60.459
flat angles P-C4'-P energy: -42.064
tors. eta vs tors. theta energy: -85.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -868.196021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.196021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.196021 (E_RNA)
where:
Base-Base interactions energy: -620.269
where: short stacking energy: -251.522
Base-Backbone interact. energy: -2.079
local terms energy: -245.848582
where:
bonds (distance) C4'-P energy: -32.192
bonds (distance) P-C4' energy: -54.130
flat angles C4'-P-C4' energy: -53.076
flat angles P-C4'-P energy: -40.587
tors. eta vs tors. theta energy: -65.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -810.478234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.478234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.478234 (E_RNA)
where:
Base-Base interactions energy: -547.680
where: short stacking energy: -248.291
Base-Backbone interact. energy: 3.382
local terms energy: -266.180573
where:
bonds (distance) C4'-P energy: -41.016
bonds (distance) P-C4' energy: -47.195
flat angles C4'-P-C4' energy: -54.375
flat angles P-C4'-P energy: -44.602
tors. eta vs tors. theta energy: -78.993
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: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -777.580708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.580708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.580708 (E_RNA)
where:
Base-Base interactions energy: -534.354
where: short stacking energy: -205.687
Base-Backbone interact. energy: -1.365
local terms energy: -241.861448
where:
bonds (distance) C4'-P energy: -49.391
bonds (distance) P-C4' energy: -49.531
flat angles C4'-P-C4' energy: -62.677
flat angles P-C4'-P energy: -29.069
tors. eta vs tors. theta energy: -51.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -708.447836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.447836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.447836 (E_RNA)
where:
Base-Base interactions energy: -486.623
where: short stacking energy: -178.262
Base-Backbone interact. energy: -1.454
local terms energy: -220.371211
where:
bonds (distance) C4'-P energy: -43.262
bonds (distance) P-C4' energy: -47.453
flat angles C4'-P-C4' energy: -48.263
flat angles P-C4'-P energy: -41.380
tors. eta vs tors. theta energy: -40.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -621.426631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.426631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.426631 (E_RNA)
where:
Base-Base interactions energy: -389.123
where: short stacking energy: -176.299
Base-Backbone interact. energy: -1.084
local terms energy: -231.219285
where:
bonds (distance) C4'-P energy: -55.388
bonds (distance) P-C4' energy: -48.361
flat angles C4'-P-C4' energy: -54.246
flat angles P-C4'-P energy: -28.403
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: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -402.498483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.498483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.498483 (E_RNA)
where:
Base-Base interactions energy: -216.125
where: short stacking energy: -132.661
Base-Backbone interact. energy: -0.475
local terms energy: -185.898169
where:
bonds (distance) C4'-P energy: -50.513
bonds (distance) P-C4' energy: -46.334
flat angles C4'-P-C4' energy: -39.270
flat angles P-C4'-P energy: -21.031
tors. eta vs tors. theta energy: -28.750
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: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -307.462598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.462598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.462598 (E_RNA)
where:
Base-Base interactions energy: -164.404
where: short stacking energy: -79.618
Base-Backbone interact. energy: -1.107
local terms energy: -141.951546
where:
bonds (distance) C4'-P energy: -40.437
bonds (distance) P-C4' energy: -47.094
flat angles C4'-P-C4' energy: -30.424
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -9.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -266.660165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.660165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.660165 (E_RNA)
where:
Base-Base interactions energy: -98.905
where: short stacking energy: -71.580
Base-Backbone interact. energy: 0.084
local terms energy: -167.839878
where:
bonds (distance) C4'-P energy: -53.033
bonds (distance) P-C4' energy: -46.268
flat angles C4'-P-C4' energy: -33.670
flat angles P-C4'-P energy: -24.207
tors. eta vs tors. theta energy: -10.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -933.351653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.351653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.351653 (E_RNA)
where:
Base-Base interactions energy: -650.020
where: short stacking energy: -251.319
Base-Backbone interact. energy: -1.389
local terms energy: -281.942405
where:
bonds (distance) C4'-P energy: -55.178
bonds (distance) P-C4' energy: -53.898
flat angles C4'-P-C4' energy: -58.156
flat angles P-C4'-P energy: -39.155
tors. eta vs tors. theta energy: -75.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -901.623150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.623150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.623150 (E_RNA)
where:
Base-Base interactions energy: -619.682
where: short stacking energy: -265.420
Base-Backbone interact. energy: -2.513
local terms energy: -279.428397
where:
bonds (distance) C4'-P energy: -51.270
bonds (distance) P-C4' energy: -48.705
flat angles C4'-P-C4' energy: -56.543
flat angles P-C4'-P energy: -37.819
tors. eta vs tors. theta energy: -85.092
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: 357
Temperature: 1.000000
Total energy: -876.346894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.346894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.346894 (E_RNA)
where:
Base-Base interactions energy: -623.952
where: short stacking energy: -238.458
Base-Backbone interact. energy: 0.481
local terms energy: -252.875765
where:
bonds (distance) C4'-P energy: -44.082
bonds (distance) P-C4' energy: -40.527
flat angles C4'-P-C4' energy: -58.039
flat angles P-C4'-P energy: -45.070
tors. eta vs tors. theta energy: -65.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -808.368570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.368570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.368570 (E_RNA)
where:
Base-Base interactions energy: -549.677
where: short stacking energy: -250.823
Base-Backbone interact. energy: -0.713
local terms energy: -257.977725
where:
bonds (distance) C4'-P energy: -45.316
bonds (distance) P-C4' energy: -50.502
flat angles C4'-P-C4' energy: -56.653
flat angles P-C4'-P energy: -32.237
tors. eta vs tors. theta energy: -73.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -757.243812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.243812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.243812 (E_RNA)
where:
Base-Base interactions energy: -511.308
where: short stacking energy: -209.911
Base-Backbone interact. energy: -1.265
local terms energy: -244.671285
where:
bonds (distance) C4'-P energy: -48.800
bonds (distance) P-C4' energy: -57.444
flat angles C4'-P-C4' energy: -40.793
flat angles P-C4'-P energy: -39.901
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: 6, replica: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -748.562902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.562902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.562902 (E_RNA)
where:
Base-Base interactions energy: -504.683
where: short stacking energy: -225.657
Base-Backbone interact. energy: -1.344
local terms energy: -242.535383
where:
bonds (distance) C4'-P energy: -52.292
bonds (distance) P-C4' energy: -47.610
flat angles C4'-P-C4' energy: -45.698
flat angles P-C4'-P energy: -36.148
tors. eta vs tors. theta energy: -60.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -579.360602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.360602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.360602 (E_RNA)
where:
Base-Base interactions energy: -374.406
where: short stacking energy: -186.625
Base-Backbone interact. energy: -2.441
local terms energy: -202.514010
where:
bonds (distance) C4'-P energy: -37.211
bonds (distance) P-C4' energy: -39.575
flat angles C4'-P-C4' energy: -45.915
flat angles P-C4'-P energy: -35.378
tors. eta vs tors. theta energy: -44.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -396.463703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.463703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.463703 (E_RNA)
where:
Base-Base interactions energy: -205.092
where: short stacking energy: -110.619
Base-Backbone interact. energy: 1.323
local terms energy: -192.694155
where:
bonds (distance) C4'-P energy: -47.965
bonds (distance) P-C4' energy: -55.723
flat angles C4'-P-C4' energy: -49.637
flat angles P-C4'-P energy: -28.420
tors. eta vs tors. theta energy: -10.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -305.290963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.290963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.290963 (E_RNA)
where:
Base-Base interactions energy: -145.960
where: short stacking energy: -102.943
Base-Backbone interact. energy: -0.781
local terms energy: -158.550126
where:
bonds (distance) C4'-P energy: -47.450
bonds (distance) P-C4' energy: -39.923
flat angles C4'-P-C4' energy: -49.989
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -8.015
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: 10, replica: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -228.093417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.093417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.093417 (E_RNA)
where:
Base-Base interactions energy: -94.818
where: short stacking energy: -91.721
Base-Backbone interact. energy: -0.861
local terms energy: -132.414249
where:
bonds (distance) C4'-P energy: -48.700
bonds (distance) P-C4' energy: -35.879
flat angles C4'-P-C4' energy: -42.175
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: 1.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -939.675966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.675966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.675966 (E_RNA)
where:
Base-Base interactions energy: -653.961
where: short stacking energy: -270.150
Base-Backbone interact. energy: -1.651
local terms energy: -284.063585
where:
bonds (distance) C4'-P energy: -51.348
bonds (distance) P-C4' energy: -54.588
flat angles C4'-P-C4' energy: -59.820
flat angles P-C4'-P energy: -39.584
tors. eta vs tors. theta energy: -78.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -893.722379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.722379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.722379 (E_RNA)
where:
Base-Base interactions energy: -622.737
where: short stacking energy: -244.998
Base-Backbone interact. energy: -0.349
local terms energy: -270.636566
where:
bonds (distance) C4'-P energy: -55.406
bonds (distance) P-C4' energy: -49.428
flat angles C4'-P-C4' energy: -50.652
flat angles P-C4'-P energy: -38.235
tors. eta vs tors. theta energy: -76.916
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: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -874.884120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.884120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.884120 (E_RNA)
where:
Base-Base interactions energy: -615.606
where: short stacking energy: -239.024
Base-Backbone interact. energy: -1.827
local terms energy: -257.450501
where:
bonds (distance) C4'-P energy: -45.962
bonds (distance) P-C4' energy: -49.312
flat angles C4'-P-C4' energy: -59.960
flat angles P-C4'-P energy: -35.899
tors. eta vs tors. theta energy: -66.317
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: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -804.507802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.507802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.507802 (E_RNA)
where:
Base-Base interactions energy: -554.364
where: short stacking energy: -232.843
Base-Backbone interact. energy: -0.785
local terms energy: -249.358629
where:
bonds (distance) C4'-P energy: -43.886
bonds (distance) P-C4' energy: -50.731
flat angles C4'-P-C4' energy: -55.440
flat angles P-C4'-P energy: -33.339
tors. eta vs tors. theta energy: -65.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -772.242626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.242626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.242626 (E_RNA)
where:
Base-Base interactions energy: -530.946
where: short stacking energy: -247.653
Base-Backbone interact. energy: 0.508
local terms energy: -241.804666
where:
bonds (distance) C4'-P energy: -56.068
bonds (distance) P-C4' energy: -44.156
flat angles C4'-P-C4' energy: -45.613
flat angles P-C4'-P energy: -32.748
tors. eta vs tors. theta energy: -63.220
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: 6, replica: 2
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -735.022398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.022398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.022398 (E_RNA)
where:
Base-Base interactions energy: -512.885
where: short stacking energy: -193.136
Base-Backbone interact. energy: 0.112
local terms energy: -222.249111
where:
bonds (distance) C4'-P energy: -42.221
bonds (distance) P-C4' energy: -35.300
flat angles C4'-P-C4' energy: -54.370
flat angles P-C4'-P energy: -31.273
tors. eta vs tors. theta energy: -59.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -598.727123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.727123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.727123 (E_RNA)
where:
Base-Base interactions energy: -381.071
where: short stacking energy: -190.774
Base-Backbone interact. energy: -1.974
local terms energy: -215.681911
where:
bonds (distance) C4'-P energy: -41.815
bonds (distance) P-C4' energy: -39.432
flat angles C4'-P-C4' energy: -46.546
flat angles P-C4'-P energy: -36.659
tors. eta vs tors. theta energy: -51.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -396.126323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.126323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.126323 (E_RNA)
where:
Base-Base interactions energy: -210.760
where: short stacking energy: -118.444
Base-Backbone interact. energy: -0.252
local terms energy: -185.114393
where:
bonds (distance) C4'-P energy: -52.121
bonds (distance) P-C4' energy: -40.669
flat angles C4'-P-C4' energy: -50.504
flat angles P-C4'-P energy: -36.809
tors. eta vs tors. theta energy: -5.011
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: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -303.604229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.604229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.604229 (E_RNA)
where:
Base-Base interactions energy: -161.272
where: short stacking energy: -90.810
Base-Backbone interact. energy: -1.359
local terms energy: -140.973181
where:
bonds (distance) C4'-P energy: -35.920
bonds (distance) P-C4' energy: -41.499
flat angles C4'-P-C4' energy: -45.413
flat angles P-C4'-P energy: -18.647
tors. eta vs tors. theta energy: 0.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -222.015288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.015288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.015288 (E_RNA)
where:
Base-Base interactions energy: -78.320
where: short stacking energy: -67.255
Base-Backbone interact. energy: 0.812
local terms energy: -144.507361
where:
bonds (distance) C4'-P energy: -49.862
bonds (distance) P-C4' energy: -47.332
flat angles C4'-P-C4' energy: -40.206
flat angles P-C4'-P energy: -17.038
tors. eta vs tors. theta energy: 9.931
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: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -941.428434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.428434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.428434 (E_RNA)
where:
Base-Base interactions energy: -649.949
where: short stacking energy: -268.172
Base-Backbone interact. energy: -1.792
local terms energy: -289.687262
where:
bonds (distance) C4'-P energy: -50.552
bonds (distance) P-C4' energy: -50.186
flat angles C4'-P-C4' energy: -61.878
flat angles P-C4'-P energy: -47.669
tors. eta vs tors. theta energy: -79.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -906.691570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.691570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.691570 (E_RNA)
where:
Base-Base interactions energy: -620.939
where: short stacking energy: -256.149
Base-Backbone interact. energy: -1.505
local terms energy: -284.247838
where:
bonds (distance) C4'-P energy: -55.825
bonds (distance) P-C4' energy: -50.305
flat angles C4'-P-C4' energy: -57.505
flat angles P-C4'-P energy: -44.676
tors. eta vs tors. theta energy: -75.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -892.434376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.434376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.434376 (E_RNA)
where:
Base-Base interactions energy: -640.182
where: short stacking energy: -251.289
Base-Backbone interact. energy: 0.870
local terms energy: -253.122307
where:
bonds (distance) C4'-P energy: -49.445
bonds (distance) P-C4' energy: -47.339
flat angles C4'-P-C4' energy: -48.355
flat angles P-C4'-P energy: -43.686
tors. eta vs tors. theta energy: -64.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -820.492632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.492632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.492632 (E_RNA)
where:
Base-Base interactions energy: -555.226
where: short stacking energy: -240.979
Base-Backbone interact. energy: -2.166
local terms energy: -263.100386
where:
bonds (distance) C4'-P energy: -49.553
bonds (distance) P-C4' energy: -50.581
flat angles C4'-P-C4' energy: -54.237
flat angles P-C4'-P energy: -39.754
tors. eta vs tors. theta energy: -68.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -796.719272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.719272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.719272 (E_RNA)
where:
Base-Base interactions energy: -537.232
where: short stacking energy: -230.871
Base-Backbone interact. energy: -0.563
local terms energy: -258.924194
where:
bonds (distance) C4'-P energy: -56.619
bonds (distance) P-C4' energy: -46.420
flat angles C4'-P-C4' energy: -52.770
flat angles P-C4'-P energy: -43.078
tors. eta vs tors. theta energy: -60.037
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: 359
Temperature: 1.150000
Total energy: -764.702234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.702234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.702234 (E_RNA)
where:
Base-Base interactions energy: -517.770
where: short stacking energy: -216.879
Base-Backbone interact. energy: -0.739
local terms energy: -246.193689
where:
bonds (distance) C4'-P energy: -43.379
bonds (distance) P-C4' energy: -38.835
flat angles C4'-P-C4' energy: -56.333
flat angles P-C4'-P energy: -42.364
tors. eta vs tors. theta energy: -65.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -594.318705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.318705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.318705 (E_RNA)
where:
Base-Base interactions energy: -376.349
where: short stacking energy: -172.173
Base-Backbone interact. energy: 1.598
local terms energy: -219.568157
where:
bonds (distance) C4'-P energy: -52.824
bonds (distance) P-C4' energy: -49.343
flat angles C4'-P-C4' energy: -39.441
flat angles P-C4'-P energy: -32.883
tors. eta vs tors. theta energy: -45.077
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: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -400.581474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.581474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.581474 (E_RNA)
where:
Base-Base interactions energy: -207.057
where: short stacking energy: -120.188
Base-Backbone interact. energy: -0.101
local terms energy: -193.423873
where:
bonds (distance) C4'-P energy: -51.238
bonds (distance) P-C4' energy: -48.610
flat angles C4'-P-C4' energy: -48.017
flat angles P-C4'-P energy: -24.793
tors. eta vs tors. theta energy: -20.766
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: 359
Temperature: 1.300000
Total energy: -251.546011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.546011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.546011 (E_RNA)
where:
Base-Base interactions energy: -95.400
where: short stacking energy: -85.024
Base-Backbone interact. energy: 0.189
local terms energy: -156.334828
where:
bonds (distance) C4'-P energy: -43.233
bonds (distance) P-C4' energy: -50.872
flat angles C4'-P-C4' energy: -37.560
flat angles P-C4'-P energy: -28.102
tors. eta vs tors. theta energy: 3.432
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: 359
Temperature: 1.350000
Total energy: -228.683149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.683149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.683149 (E_RNA)
where:
Base-Base interactions energy: -79.407
where: short stacking energy: -60.986
Base-Backbone interact. energy: -1.004
local terms energy: -148.271634
where:
bonds (distance) C4'-P energy: -47.031
bonds (distance) P-C4' energy: -51.559
flat angles C4'-P-C4' energy: -38.235
flat angles P-C4'-P energy: -17.468
tors. eta vs tors. theta energy: 6.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -968.603874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.603874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.603874 (E_RNA)
where:
Base-Base interactions energy: -659.420
where: short stacking energy: -282.787
Base-Backbone interact. energy: -3.087
local terms energy: -306.097429
where:
bonds (distance) C4'-P energy: -63.238
bonds (distance) P-C4' energy: -54.561
flat angles C4'-P-C4' energy: -65.981
flat angles P-C4'-P energy: -37.803
tors. eta vs tors. theta energy: -84.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -891.603343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.603343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.603343 (E_RNA)
where:
Base-Base interactions energy: -602.685
where: short stacking energy: -251.346
Base-Backbone interact. energy: -0.124
local terms energy: -288.795235
where:
bonds (distance) C4'-P energy: -57.287
bonds (distance) P-C4' energy: -53.914
flat angles C4'-P-C4' energy: -61.903
flat angles P-C4'-P energy: -43.796
tors. eta vs tors. theta energy: -71.895
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: 360
Temperature: 1.000000
Total energy: -875.514549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.514549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.514549 (E_RNA)
where:
Base-Base interactions energy: -614.814
where: short stacking energy: -233.462
Base-Backbone interact. energy: -0.482
local terms energy: -260.217651
where:
bonds (distance) C4'-P energy: -42.159
bonds (distance) P-C4' energy: -52.598
flat angles C4'-P-C4' energy: -53.002
flat angles P-C4'-P energy: -44.960
tors. eta vs tors. theta energy: -67.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -796.929175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.929175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.929175 (E_RNA)
where:
Base-Base interactions energy: -545.859
where: short stacking energy: -241.093
Base-Backbone interact. energy: -1.794
local terms energy: -249.276433
where:
bonds (distance) C4'-P energy: -50.416
bonds (distance) P-C4' energy: -43.284
flat angles C4'-P-C4' energy: -59.850
flat angles P-C4'-P energy: -25.486
tors. eta vs tors. theta energy: -70.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -776.432486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.432486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.432486 (E_RNA)
where:
Base-Base interactions energy: -528.564
where: short stacking energy: -225.886
Base-Backbone interact. energy: 0.441
local terms energy: -248.310021
where:
bonds (distance) C4'-P energy: -55.546
bonds (distance) P-C4' energy: -48.988
flat angles C4'-P-C4' energy: -47.316
flat angles P-C4'-P energy: -35.930
tors. eta vs tors. theta energy: -60.529
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: 360
Temperature: 1.150000
Total energy: -727.142414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.142414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.142414 (E_RNA)
where:
Base-Base interactions energy: -497.931
where: short stacking energy: -195.067
Base-Backbone interact. energy: 1.972
local terms energy: -231.183046
where:
bonds (distance) C4'-P energy: -36.204
bonds (distance) P-C4' energy: -42.910
flat angles C4'-P-C4' energy: -59.403
flat angles P-C4'-P energy: -44.457
tors. eta vs tors. theta energy: -48.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -572.981040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.981040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.981040 (E_RNA)
where:
Base-Base interactions energy: -376.597
where: short stacking energy: -172.977
Base-Backbone interact. energy: -0.379
local terms energy: -196.005449
where:
bonds (distance) C4'-P energy: -47.476
bonds (distance) P-C4' energy: -34.178
flat angles C4'-P-C4' energy: -34.866
flat angles P-C4'-P energy: -31.095
tors. eta vs tors. theta energy: -48.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -421.761841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.761841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.761841 (E_RNA)
where:
Base-Base interactions energy: -209.664
where: short stacking energy: -112.073
Base-Backbone interact. energy: -1.553
local terms energy: -210.545690
where:
bonds (distance) C4'-P energy: -40.937
bonds (distance) P-C4' energy: -52.478
flat angles C4'-P-C4' energy: -49.650
flat angles P-C4'-P energy: -36.229
tors. eta vs tors. theta energy: -31.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -251.948891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.948891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.948891 (E_RNA)
where:
Base-Base interactions energy: -80.988
where: short stacking energy: -78.388
Base-Backbone interact. energy: 0.778
local terms energy: -171.738581
where:
bonds (distance) C4'-P energy: -45.505
bonds (distance) P-C4' energy: -51.928
flat angles C4'-P-C4' energy: -34.583
flat angles P-C4'-P energy: -37.850
tors. eta vs tors. theta energy: -1.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -240.851697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.851697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.851697 (E_RNA)
where:
Base-Base interactions energy: -87.347
where: short stacking energy: -71.063
Base-Backbone interact. energy: -0.929
local terms energy: -152.575167
where:
bonds (distance) C4'-P energy: -32.988
bonds (distance) P-C4' energy: -49.079
flat angles C4'-P-C4' energy: -37.761
flat angles P-C4'-P energy: -30.355
tors. eta vs tors. theta energy: -2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -944.716926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.716926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.716926 (E_RNA)
where:
Base-Base interactions energy: -654.511
where: short stacking energy: -284.119
Base-Backbone interact. energy: -2.208
local terms energy: -287.998179
where:
bonds (distance) C4'-P energy: -46.158
bonds (distance) P-C4' energy: -54.136
flat angles C4'-P-C4' energy: -62.401
flat angles P-C4'-P energy: -42.329
tors. eta vs tors. theta energy: -82.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -903.527657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.527657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.527657 (E_RNA)
where:
Base-Base interactions energy: -632.496
where: short stacking energy: -251.681
Base-Backbone interact. energy: -3.948
local terms energy: -267.083869
where:
bonds (distance) C4'-P energy: -52.911
bonds (distance) P-C4' energy: -47.584
flat angles C4'-P-C4' energy: -56.024
flat angles P-C4'-P energy: -40.611
tors. eta vs tors. theta energy: -69.954
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: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -876.081076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.081076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.081076 (E_RNA)
where:
Base-Base interactions energy: -608.448
where: short stacking energy: -246.524
Base-Backbone interact. energy: -0.233
local terms energy: -267.399951
where:
bonds (distance) C4'-P energy: -41.186
bonds (distance) P-C4' energy: -60.722
flat angles C4'-P-C4' energy: -56.671
flat angles P-C4'-P energy: -36.108
tors. eta vs tors. theta energy: -72.713
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: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -803.974323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.974323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.974323 (E_RNA)
where:
Base-Base interactions energy: -541.679
where: short stacking energy: -229.172
Base-Backbone interact. energy: -0.757
local terms energy: -261.537970
where:
bonds (distance) C4'-P energy: -55.797
bonds (distance) P-C4' energy: -52.706
flat angles C4'-P-C4' energy: -56.312
flat angles P-C4'-P energy: -42.207
tors. eta vs tors. theta energy: -54.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -796.713675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.713675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.713675 (E_RNA)
where:
Base-Base interactions energy: -537.643
where: short stacking energy: -223.850
Base-Backbone interact. energy: -1.723
local terms energy: -257.347588
where:
bonds (distance) C4'-P energy: -46.356
bonds (distance) P-C4' energy: -50.772
flat angles C4'-P-C4' energy: -53.739
flat angles P-C4'-P energy: -40.785
tors. eta vs tors. theta energy: -65.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -753.009597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.009597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.009597 (E_RNA)
where:
Base-Base interactions energy: -519.561
where: short stacking energy: -229.007
Base-Backbone interact. energy: -0.238
local terms energy: -233.211076
where:
bonds (distance) C4'-P energy: -46.033
bonds (distance) P-C4' energy: -46.105
flat angles C4'-P-C4' energy: -51.152
flat angles P-C4'-P energy: -34.374
tors. eta vs tors. theta energy: -55.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -600.496179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.496179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.496179 (E_RNA)
where:
Base-Base interactions energy: -377.172
where: short stacking energy: -184.139
Base-Backbone interact. energy: -0.074
local terms energy: -223.249452
where:
bonds (distance) C4'-P energy: -45.285
bonds (distance) P-C4' energy: -48.980
flat angles C4'-P-C4' energy: -45.449
flat angles P-C4'-P energy: -37.808
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: 8, replica: 4
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -424.592209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.592209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.592209 (E_RNA)
where:
Base-Base interactions energy: -244.468
where: short stacking energy: -111.788
Base-Backbone interact. energy: -1.194
local terms energy: -178.930135
where:
bonds (distance) C4'-P energy: -40.054
bonds (distance) P-C4' energy: -45.226
flat angles C4'-P-C4' energy: -47.580
flat angles P-C4'-P energy: -28.100
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -243.975632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.975632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.975632 (E_RNA)
where:
Base-Base interactions energy: -82.184
where: short stacking energy: -74.076
Base-Backbone interact. energy: 1.251
local terms energy: -163.043019
where:
bonds (distance) C4'-P energy: -49.189
bonds (distance) P-C4' energy: -42.582
flat angles C4'-P-C4' energy: -39.285
flat angles P-C4'-P energy: -32.840
tors. eta vs tors. theta energy: 0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -254.825676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.825676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.825676 (E_RNA)
where:
Base-Base interactions energy: -101.941
where: short stacking energy: -71.704
Base-Backbone interact. energy: 0.052
local terms energy: -152.937314
where:
bonds (distance) C4'-P energy: -47.028
bonds (distance) P-C4' energy: -44.061
flat angles C4'-P-C4' energy: -43.326
flat angles P-C4'-P energy: -20.287
tors. eta vs tors. theta energy: 1.764
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: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -970.666448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.666448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.666448 (E_RNA)
where:
Base-Base interactions energy: -668.733
where: short stacking energy: -279.762
Base-Backbone interact. energy: -3.235
local terms energy: -298.698496
where:
bonds (distance) C4'-P energy: -52.187
bonds (distance) P-C4' energy: -59.199
flat angles C4'-P-C4' energy: -57.435
flat angles P-C4'-P energy: -43.997
tors. eta vs tors. theta energy: -85.880
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: 362
Temperature: 0.950000
Total energy: -915.136898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.136898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.136898 (E_RNA)
where:
Base-Base interactions energy: -648.572
where: short stacking energy: -256.722
Base-Backbone interact. energy: 1.010
local terms energy: -267.574894
where:
bonds (distance) C4'-P energy: -45.484
bonds (distance) P-C4' energy: -57.266
flat angles C4'-P-C4' energy: -57.348
flat angles P-C4'-P energy: -30.461
tors. eta vs tors. theta energy: -77.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -875.247223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.247223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.247223 (E_RNA)
where:
Base-Base interactions energy: -613.206
where: short stacking energy: -246.212
Base-Backbone interact. energy: -0.209
local terms energy: -261.831962
where:
bonds (distance) C4'-P energy: -51.085
bonds (distance) P-C4' energy: -48.331
flat angles C4'-P-C4' energy: -60.035
flat angles P-C4'-P energy: -39.563
tors. eta vs tors. theta energy: -62.818
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: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -832.484813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.484813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.484813 (E_RNA)
where:
Base-Base interactions energy: -566.344
where: short stacking energy: -241.764
Base-Backbone interact. energy: -0.442
local terms energy: -265.699304
where:
bonds (distance) C4'-P energy: -54.244
bonds (distance) P-C4' energy: -54.140
flat angles C4'-P-C4' energy: -53.656
flat angles P-C4'-P energy: -43.892
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: 5, replica: 2
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -744.586670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.586670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.586670 (E_RNA)
where:
Base-Base interactions energy: -508.120
where: short stacking energy: -217.621
Base-Backbone interact. energy: -2.784
local terms energy: -233.681845
where:
bonds (distance) C4'-P energy: -45.198
bonds (distance) P-C4' energy: -39.422
flat angles C4'-P-C4' energy: -55.515
flat angles P-C4'-P energy: -32.833
tors. eta vs tors. theta energy: -60.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -751.314898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.314898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.314898 (E_RNA)
where:
Base-Base interactions energy: -505.112
where: short stacking energy: -208.755
Base-Backbone interact. energy: 0.506
local terms energy: -246.709565
where:
bonds (distance) C4'-P energy: -47.491
bonds (distance) P-C4' energy: -48.230
flat angles C4'-P-C4' energy: -46.093
flat angles P-C4'-P energy: -43.347
tors. eta vs tors. theta energy: -61.549
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: 7
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -573.180094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.180094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.180094 (E_RNA)
where:
Base-Base interactions energy: -368.683
where: short stacking energy: -184.473
Base-Backbone interact. energy: -0.794
local terms energy: -203.702905
where:
bonds (distance) C4'-P energy: -49.214
bonds (distance) P-C4' energy: -37.405
flat angles C4'-P-C4' energy: -43.640
flat angles P-C4'-P energy: -25.426
tors. eta vs tors. theta energy: -48.019
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: 4
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -431.469974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.469974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.469974 (E_RNA)
where:
Base-Base interactions energy: -259.854
where: short stacking energy: -139.653
Base-Backbone interact. energy: -0.291
local terms energy: -171.325058
where:
bonds (distance) C4'-P energy: -43.988
bonds (distance) P-C4' energy: -39.141
flat angles C4'-P-C4' energy: -32.450
flat angles P-C4'-P energy: -32.841
tors. eta vs tors. theta energy: -22.904
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: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -241.154208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.154208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.154208 (E_RNA)
where:
Base-Base interactions energy: -81.181
where: short stacking energy: -69.043
Base-Backbone interact. energy: 0.328
local terms energy: -160.301111
where:
bonds (distance) C4'-P energy: -36.023
bonds (distance) P-C4' energy: -52.961
flat angles C4'-P-C4' energy: -36.452
flat angles P-C4'-P energy: -32.027
tors. eta vs tors. theta energy: -2.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -226.881921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.881921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.881921 (E_RNA)
where:
Base-Base interactions energy: -80.301
where: short stacking energy: -50.431
Base-Backbone interact. energy: 2.025
local terms energy: -148.605942
where:
bonds (distance) C4'-P energy: -50.687
bonds (distance) P-C4' energy: -46.215
flat angles C4'-P-C4' energy: -39.169
flat angles P-C4'-P energy: -24.863
tors. eta vs tors. theta energy: 12.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -947.039271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.039271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.039271 (E_RNA)
where:
Base-Base interactions energy: -653.683
where: short stacking energy: -264.899
Base-Backbone interact. energy: -2.015
local terms energy: -291.341266
where:
bonds (distance) C4'-P energy: -48.257
bonds (distance) P-C4' energy: -59.411
flat angles C4'-P-C4' energy: -57.614
flat angles P-C4'-P energy: -43.682
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: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -903.679003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.679003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.679003 (E_RNA)
where:
Base-Base interactions energy: -628.307
where: short stacking energy: -248.045
Base-Backbone interact. energy: -1.667
local terms energy: -273.704662
where:
bonds (distance) C4'-P energy: -53.373
bonds (distance) P-C4' energy: -53.166
flat angles C4'-P-C4' energy: -60.628
flat angles P-C4'-P energy: -37.056
tors. eta vs tors. theta energy: -69.482
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: 3, replica: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -863.497437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.497437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.497437 (E_RNA)
where:
Base-Base interactions energy: -620.241
where: short stacking energy: -247.666
Base-Backbone interact. energy: 0.338
local terms energy: -243.594268
where:
bonds (distance) C4'-P energy: -48.618
bonds (distance) P-C4' energy: -36.744
flat angles C4'-P-C4' energy: -59.885
flat angles P-C4'-P energy: -29.804
tors. eta vs tors. theta energy: -68.542
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: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -765.933797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.933797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.933797 (E_RNA)
where:
Base-Base interactions energy: -509.327
where: short stacking energy: -230.880
Base-Backbone interact. energy: 1.672
local terms energy: -258.278362
where:
bonds (distance) C4'-P energy: -58.020
bonds (distance) P-C4' energy: -53.109
flat angles C4'-P-C4' energy: -53.654
flat angles P-C4'-P energy: -26.207
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: 363
Temperature: 1.100000
Total energy: -782.708057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.708057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.708057 (E_RNA)
where:
Base-Base interactions energy: -521.827
where: short stacking energy: -216.261
Base-Backbone interact. energy: 0.064
local terms energy: -260.944890
where:
bonds (distance) C4'-P energy: -45.209
bonds (distance) P-C4' energy: -54.191
flat angles C4'-P-C4' energy: -61.240
flat angles P-C4'-P energy: -41.027
tors. eta vs tors. theta energy: -59.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -764.924579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.924579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.924579 (E_RNA)
where:
Base-Base interactions energy: -509.466
where: short stacking energy: -230.709
Base-Backbone interact. energy: 1.338
local terms energy: -256.797271
where:
bonds (distance) C4'-P energy: -46.681
bonds (distance) P-C4' energy: -51.893
flat angles C4'-P-C4' energy: -53.042
flat angles P-C4'-P energy: -32.596
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: 7, replica: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -596.727342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.727342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.727342 (E_RNA)
where:
Base-Base interactions energy: -369.319
where: short stacking energy: -180.024
Base-Backbone interact. energy: 0.731
local terms energy: -228.138852
where:
bonds (distance) C4'-P energy: -46.368
bonds (distance) P-C4' energy: -47.643
flat angles C4'-P-C4' energy: -49.185
flat angles P-C4'-P energy: -34.895
tors. eta vs tors. theta energy: -50.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -450.519238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.519238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.519238 (E_RNA)
where:
Base-Base interactions energy: -263.514
where: short stacking energy: -129.796
Base-Backbone interact. energy: -0.946
local terms energy: -186.059267
where:
bonds (distance) C4'-P energy: -37.651
bonds (distance) P-C4' energy: -33.881
flat angles C4'-P-C4' energy: -52.087
flat angles P-C4'-P energy: -34.899
tors. eta vs tors. theta energy: -27.541
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: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -248.263155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.263155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.263155 (E_RNA)
where:
Base-Base interactions energy: -109.573
where: short stacking energy: -91.874
Base-Backbone interact. energy: -0.415
local terms energy: -138.274781
where:
bonds (distance) C4'-P energy: -34.537
bonds (distance) P-C4' energy: -49.778
flat angles C4'-P-C4' energy: -37.258
flat angles P-C4'-P energy: -22.267
tors. eta vs tors. theta energy: 5.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -224.232875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.232875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.232875 (E_RNA)
where:
Base-Base interactions energy: -79.271
where: short stacking energy: -54.065
Base-Backbone interact. energy: -0.574
local terms energy: -144.387793
where:
bonds (distance) C4'-P energy: -47.356
bonds (distance) P-C4' energy: -38.699
flat angles C4'-P-C4' energy: -42.411
flat angles P-C4'-P energy: -21.432
tors. eta vs tors. theta energy: 5.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -946.371605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.371605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.371605 (E_RNA)
where:
Base-Base interactions energy: -650.670
where: short stacking energy: -259.444
Base-Backbone interact. energy: -1.429
local terms energy: -294.272592
where:
bonds (distance) C4'-P energy: -54.345
bonds (distance) P-C4' energy: -55.813
flat angles C4'-P-C4' energy: -48.993
flat angles P-C4'-P energy: -49.519
tors. eta vs tors. theta energy: -85.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -883.525124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.525124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.525124 (E_RNA)
where:
Base-Base interactions energy: -622.621
where: short stacking energy: -242.461
Base-Backbone interact. energy: 0.073
local terms energy: -260.976222
where:
bonds (distance) C4'-P energy: -53.290
bonds (distance) P-C4' energy: -50.912
flat angles C4'-P-C4' energy: -54.138
flat angles P-C4'-P energy: -32.966
tors. eta vs tors. theta energy: -69.672
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: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -881.920121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.920121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.920121 (E_RNA)
where:
Base-Base interactions energy: -609.663
where: short stacking energy: -241.271
Base-Backbone interact. energy: -0.971
local terms energy: -271.285614
where:
bonds (distance) C4'-P energy: -52.213
bonds (distance) P-C4' energy: -53.270
flat angles C4'-P-C4' energy: -52.795
flat angles P-C4'-P energy: -43.487
tors. eta vs tors. theta energy: -69.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -794.350029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.350029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.350029 (E_RNA)
where:
Base-Base interactions energy: -531.239
where: short stacking energy: -240.797
Base-Backbone interact. energy: 2.818
local terms energy: -265.928905
where:
bonds (distance) C4'-P energy: -41.754
bonds (distance) P-C4' energy: -55.826
flat angles C4'-P-C4' energy: -57.758
flat angles P-C4'-P energy: -41.324
tors. eta vs tors. theta energy: -69.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -795.778679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.778679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.778679 (E_RNA)
where:
Base-Base interactions energy: -550.458
where: short stacking energy: -242.134
Base-Backbone interact. energy: -0.611
local terms energy: -244.709405
where:
bonds (distance) C4'-P energy: -46.637
bonds (distance) P-C4' energy: -46.673
flat angles C4'-P-C4' energy: -58.610
flat angles P-C4'-P energy: -27.753
tors. eta vs tors. theta energy: -65.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -772.754081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.754081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.754081 (E_RNA)
where:
Base-Base interactions energy: -509.268
where: short stacking energy: -220.583
Base-Backbone interact. energy: -0.389
local terms energy: -263.096938
where:
bonds (distance) C4'-P energy: -55.218
bonds (distance) P-C4' energy: -47.171
flat angles C4'-P-C4' energy: -53.757
flat angles P-C4'-P energy: -37.615
tors. eta vs tors. theta energy: -69.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -575.258413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.258413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.258413 (E_RNA)
where:
Base-Base interactions energy: -352.740
where: short stacking energy: -174.892
Base-Backbone interact. energy: -2.061
local terms energy: -220.457295
where:
bonds (distance) C4'-P energy: -37.673
bonds (distance) P-C4' energy: -49.761
flat angles C4'-P-C4' energy: -58.809
flat angles P-C4'-P energy: -34.582
tors. eta vs tors. theta energy: -39.632
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: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -438.012755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.012755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.012755 (E_RNA)
where:
Base-Base interactions energy: -255.315
where: short stacking energy: -139.862
Base-Backbone interact. energy: 0.538
local terms energy: -183.235977
where:
bonds (distance) C4'-P energy: -41.440
bonds (distance) P-C4' energy: -51.546
flat angles C4'-P-C4' energy: -39.115
flat angles P-C4'-P energy: -29.421
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -257.121554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.121554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.121554 (E_RNA)
where:
Base-Base interactions energy: -103.211
where: short stacking energy: -85.825
Base-Backbone interact. energy: -1.415
local terms energy: -152.495244
where:
bonds (distance) C4'-P energy: -50.520
bonds (distance) P-C4' energy: -43.828
flat angles C4'-P-C4' energy: -36.013
flat angles P-C4'-P energy: -19.911
tors. eta vs tors. theta energy: -2.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -227.892964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.892964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.892964 (E_RNA)
where:
Base-Base interactions energy: -97.780
where: short stacking energy: -80.513
Base-Backbone interact. energy: 0.265
local terms energy: -130.377710
where:
bonds (distance) C4'-P energy: -37.533
bonds (distance) P-C4' energy: -34.619
flat angles C4'-P-C4' energy: -37.005
flat angles P-C4'-P energy: -29.610
tors. eta vs tors. theta energy: 8.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -949.262410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.262410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.262410 (E_RNA)
where:
Base-Base interactions energy: -650.131
where: short stacking energy: -274.460
Base-Backbone interact. energy: -1.793
local terms energy: -297.338308
where:
bonds (distance) C4'-P energy: -51.646
bonds (distance) P-C4' energy: -55.822
flat angles C4'-P-C4' energy: -62.296
flat angles P-C4'-P energy: -43.269
tors. eta vs tors. theta energy: -84.305
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: 2, replica: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -893.807660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.807660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.807660 (E_RNA)
where:
Base-Base interactions energy: -625.167
where: short stacking energy: -244.617
Base-Backbone interact. energy: -1.066
local terms energy: -267.575213
where:
bonds (distance) C4'-P energy: -54.535
bonds (distance) P-C4' energy: -42.918
flat angles C4'-P-C4' energy: -57.960
flat angles P-C4'-P energy: -41.550
tors. eta vs tors. theta energy: -70.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -888.816523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.816523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.816523 (E_RNA)
where:
Base-Base interactions energy: -620.978
where: short stacking energy: -252.197
Base-Backbone interact. energy: -0.782
local terms energy: -267.056621
where:
bonds (distance) C4'-P energy: -50.732
bonds (distance) P-C4' energy: -49.329
flat angles C4'-P-C4' energy: -56.478
flat angles P-C4'-P energy: -42.163
tors. eta vs tors. theta energy: -68.354
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: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -800.553472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.553472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.553472 (E_RNA)
where:
Base-Base interactions energy: -536.342
where: short stacking energy: -248.966
Base-Backbone interact. energy: 0.044
local terms energy: -264.255048
where:
bonds (distance) C4'-P energy: -40.350
bonds (distance) P-C4' energy: -52.795
flat angles C4'-P-C4' energy: -59.061
flat angles P-C4'-P energy: -38.792
tors. eta vs tors. theta energy: -73.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -804.485510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.485510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.485510 (E_RNA)
where:
Base-Base interactions energy: -544.358
where: short stacking energy: -246.502
Base-Backbone interact. energy: 0.616
local terms energy: -260.743218
where:
bonds (distance) C4'-P energy: -55.300
bonds (distance) P-C4' energy: -53.408
flat angles C4'-P-C4' energy: -52.638
flat angles P-C4'-P energy: -34.075
tors. eta vs tors. theta energy: -65.322
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: 6
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -751.653796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.653796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.653796 (E_RNA)
where:
Base-Base interactions energy: -522.672
where: short stacking energy: -223.142
Base-Backbone interact. energy: 6.848
local terms energy: -235.830310
where:
bonds (distance) C4'-P energy: -42.669
bonds (distance) P-C4' energy: -48.594
flat angles C4'-P-C4' energy: -47.862
flat angles P-C4'-P energy: -35.798
tors. eta vs tors. theta energy: -60.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -563.123347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.123347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.123347 (E_RNA)
where:
Base-Base interactions energy: -359.133
where: short stacking energy: -184.214
Base-Backbone interact. energy: 0.502
local terms energy: -204.492970
where:
bonds (distance) C4'-P energy: -43.222
bonds (distance) P-C4' energy: -45.575
flat angles C4'-P-C4' energy: -38.657
flat angles P-C4'-P energy: -34.382
tors. eta vs tors. theta energy: -42.656
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: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -414.649280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.649280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.649280 (E_RNA)
where:
Base-Base interactions energy: -230.028
where: short stacking energy: -121.239
Base-Backbone interact. energy: 1.036
local terms energy: -185.657488
where:
bonds (distance) C4'-P energy: -40.317
bonds (distance) P-C4' energy: -49.415
flat angles C4'-P-C4' energy: -44.701
flat angles P-C4'-P energy: -34.840
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -248.562622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.562622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.562622 (E_RNA)
where:
Base-Base interactions energy: -89.722
where: short stacking energy: -82.814
Base-Backbone interact. energy: 2.497
local terms energy: -161.337596
where:
bonds (distance) C4'-P energy: -46.737
bonds (distance) P-C4' energy: -39.944
flat angles C4'-P-C4' energy: -41.452
flat angles P-C4'-P energy: -25.156
tors. eta vs tors. theta energy: -8.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -231.089826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.089826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.089826 (E_RNA)
where:
Base-Base interactions energy: -79.710
where: short stacking energy: -75.077
Base-Backbone interact. energy: -0.380
local terms energy: -151.000180
where:
bonds (distance) C4'-P energy: -41.644
bonds (distance) P-C4' energy: -51.073
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -26.838
tors. eta vs tors. theta energy: -2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -941.239066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.239066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.239066 (E_RNA)
where:
Base-Base interactions energy: -662.261
where: short stacking energy: -278.733
Base-Backbone interact. energy: 0.480
local terms energy: -279.458190
where:
bonds (distance) C4'-P energy: -46.715
bonds (distance) P-C4' energy: -56.020
flat angles C4'-P-C4' energy: -63.341
flat angles P-C4'-P energy: -35.381
tors. eta vs tors. theta energy: -78.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -915.988274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.988274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.988274 (E_RNA)
where:
Base-Base interactions energy: -638.138
where: short stacking energy: -244.811
Base-Backbone interact. energy: -2.302
local terms energy: -275.549139
where:
bonds (distance) C4'-P energy: -45.013
bonds (distance) P-C4' energy: -56.398
flat angles C4'-P-C4' energy: -57.241
flat angles P-C4'-P energy: -42.100
tors. eta vs tors. theta energy: -74.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -869.572574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.572574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.572574 (E_RNA)
where:
Base-Base interactions energy: -600.779
where: short stacking energy: -245.097
Base-Backbone interact. energy: -1.587
local terms energy: -267.206523
where:
bonds (distance) C4'-P energy: -41.992
bonds (distance) P-C4' energy: -50.188
flat angles C4'-P-C4' energy: -60.802
flat angles P-C4'-P energy: -44.451
tors. eta vs tors. theta energy: -69.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -770.851928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.851928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.851928 (E_RNA)
where:
Base-Base interactions energy: -515.598
where: short stacking energy: -227.079
Base-Backbone interact. energy: -0.554
local terms energy: -254.699676
where:
bonds (distance) C4'-P energy: -48.572
bonds (distance) P-C4' energy: -51.629
flat angles C4'-P-C4' energy: -57.295
flat angles P-C4'-P energy: -33.755
tors. eta vs tors. theta energy: -63.450
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: 10
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -795.179583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.179583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.179583 (E_RNA)
where:
Base-Base interactions energy: -544.514
where: short stacking energy: -235.234
Base-Backbone interact. energy: -1.019
local terms energy: -249.646181
where:
bonds (distance) C4'-P energy: -56.620
bonds (distance) P-C4' energy: -49.873
flat angles C4'-P-C4' energy: -51.121
flat angles P-C4'-P energy: -34.427
tors. eta vs tors. theta energy: -57.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -732.811166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.811166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.811166 (E_RNA)
where:
Base-Base interactions energy: -494.652
where: short stacking energy: -214.630
Base-Backbone interact. energy: -1.383
local terms energy: -236.775547
where:
bonds (distance) C4'-P energy: -33.490
bonds (distance) P-C4' energy: -51.206
flat angles C4'-P-C4' energy: -47.267
flat angles P-C4'-P energy: -41.350
tors. eta vs tors. theta energy: -63.463
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: 366
Temperature: 1.200000
Total energy: -544.584086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.584086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.584086 (E_RNA)
where:
Base-Base interactions energy: -327.820
where: short stacking energy: -161.001
Base-Backbone interact. energy: -1.862
local terms energy: -214.902006
where:
bonds (distance) C4'-P energy: -48.495
bonds (distance) P-C4' energy: -36.460
flat angles C4'-P-C4' energy: -58.739
flat angles P-C4'-P energy: -36.100
tors. eta vs tors. theta energy: -35.108
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: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -443.436202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.436202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.436202 (E_RNA)
where:
Base-Base interactions energy: -256.346
where: short stacking energy: -149.982
Base-Backbone interact. energy: 0.052
local terms energy: -187.142033
where:
bonds (distance) C4'-P energy: -35.302
bonds (distance) P-C4' energy: -48.391
flat angles C4'-P-C4' energy: -43.835
flat angles P-C4'-P energy: -22.224
tors. eta vs tors. theta energy: -37.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -250.077858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.077858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.077858 (E_RNA)
where:
Base-Base interactions energy: -98.855
where: short stacking energy: -90.538
Base-Backbone interact. energy: -0.508
local terms energy: -150.714395
where:
bonds (distance) C4'-P energy: -34.827
bonds (distance) P-C4' energy: -44.344
flat angles C4'-P-C4' energy: -37.169
flat angles P-C4'-P energy: -28.948
tors. eta vs tors. theta energy: -5.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -246.047987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.047987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.047987 (E_RNA)
where:
Base-Base interactions energy: -94.037
where: short stacking energy: -89.285
Base-Backbone interact. energy: 2.519
local terms energy: -154.529994
where:
bonds (distance) C4'-P energy: -40.776
bonds (distance) P-C4' energy: -50.911
flat angles C4'-P-C4' energy: -37.575
flat angles P-C4'-P energy: -30.736
tors. eta vs tors. theta energy: 5.468
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: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -949.942781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.942781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.942781 (E_RNA)
where:
Base-Base interactions energy: -672.518
where: short stacking energy: -282.134
Base-Backbone interact. energy: -1.092
local terms energy: -276.332553
where:
bonds (distance) C4'-P energy: -50.119
bonds (distance) P-C4' energy: -50.414
flat angles C4'-P-C4' energy: -54.675
flat angles P-C4'-P energy: -41.528
tors. eta vs tors. theta energy: -79.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -923.428019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.428019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.428019 (E_RNA)
where:
Base-Base interactions energy: -651.811
where: short stacking energy: -255.223
Base-Backbone interact. energy: -1.219
local terms energy: -270.398213
where:
bonds (distance) C4'-P energy: -50.386
bonds (distance) P-C4' energy: -41.763
flat angles C4'-P-C4' energy: -57.437
flat angles P-C4'-P energy: -47.177
tors. eta vs tors. theta energy: -73.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -854.009976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.009976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.009976 (E_RNA)
where:
Base-Base interactions energy: -595.803
where: short stacking energy: -246.430
Base-Backbone interact. energy: -1.541
local terms energy: -256.666153
where:
bonds (distance) C4'-P energy: -39.035
bonds (distance) P-C4' energy: -54.754
flat angles C4'-P-C4' energy: -57.107
flat angles P-C4'-P energy: -37.132
tors. eta vs tors. theta energy: -68.638
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: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -773.212289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.212289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.212289 (E_RNA)
where:
Base-Base interactions energy: -515.197
where: short stacking energy: -224.910
Base-Backbone interact. energy: -1.109
local terms energy: -256.905638
where:
bonds (distance) C4'-P energy: -47.812
bonds (distance) P-C4' energy: -54.684
flat angles C4'-P-C4' energy: -55.263
flat angles P-C4'-P energy: -39.635
tors. eta vs tors. theta energy: -59.511
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: 5, replica: 10
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -761.327604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.327604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.327604 (E_RNA)
where:
Base-Base interactions energy: -533.263
where: short stacking energy: -228.312
Base-Backbone interact. energy: -0.421
local terms energy: -227.643152
where:
bonds (distance) C4'-P energy: -43.027
bonds (distance) P-C4' energy: -40.119
flat angles C4'-P-C4' energy: -46.763
flat angles P-C4'-P energy: -39.187
tors. eta vs tors. theta energy: -58.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -707.656047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.656047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.656047 (E_RNA)
where:
Base-Base interactions energy: -466.947
where: short stacking energy: -204.949
Base-Backbone interact. energy: -0.593
local terms energy: -240.115851
where:
bonds (distance) C4'-P energy: -46.110
bonds (distance) P-C4' energy: -49.821
flat angles C4'-P-C4' energy: -48.181
flat angles P-C4'-P energy: -35.158
tors. eta vs tors. theta energy: -60.846
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: 7, replica: 7
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -558.353783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.353783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.353783 (E_RNA)
where:
Base-Base interactions energy: -327.853
where: short stacking energy: -169.952
Base-Backbone interact. energy: -0.003
local terms energy: -230.497469
where:
bonds (distance) C4'-P energy: -39.418
bonds (distance) P-C4' energy: -50.204
flat angles C4'-P-C4' energy: -55.530
flat angles P-C4'-P energy: -37.149
tors. eta vs tors. theta energy: -48.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -421.290000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.290000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.290000 (E_RNA)
where:
Base-Base interactions energy: -222.480
where: short stacking energy: -122.170
Base-Backbone interact. energy: -0.952
local terms energy: -197.857707
where:
bonds (distance) C4'-P energy: -45.069
bonds (distance) P-C4' energy: -54.156
flat angles C4'-P-C4' energy: -53.400
flat angles P-C4'-P energy: -19.509
tors. eta vs tors. theta energy: -25.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -241.126344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.126344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.126344 (E_RNA)
where:
Base-Base interactions energy: -77.994
where: short stacking energy: -56.404
Base-Backbone interact. energy: -2.295
local terms energy: -160.836550
where:
bonds (distance) C4'-P energy: -43.256
bonds (distance) P-C4' energy: -45.735
flat angles C4'-P-C4' energy: -42.949
flat angles P-C4'-P energy: -21.451
tors. eta vs tors. theta energy: -7.446
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: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -234.286201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.286201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.286201 (E_RNA)
where:
Base-Base interactions energy: -84.296
where: short stacking energy: -75.389
Base-Backbone interact. energy: 0.870
local terms energy: -150.860487
where:
bonds (distance) C4'-P energy: -47.473
bonds (distance) P-C4' energy: -45.954
flat angles C4'-P-C4' energy: -34.730
flat angles P-C4'-P energy: -20.284
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -960.001861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.001861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.001861 (E_RNA)
where:
Base-Base interactions energy: -669.784
where: short stacking energy: -279.495
Base-Backbone interact. energy: -2.002
local terms energy: -288.216143
where:
bonds (distance) C4'-P energy: -42.870
bonds (distance) P-C4' energy: -56.738
flat angles C4'-P-C4' energy: -62.181
flat angles P-C4'-P energy: -39.209
tors. eta vs tors. theta energy: -87.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -922.816000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.816000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.816000 (E_RNA)
where:
Base-Base interactions energy: -650.025
where: short stacking energy: -249.479
Base-Backbone interact. energy: -0.789
local terms energy: -272.002165
where:
bonds (distance) C4'-P energy: -59.544
bonds (distance) P-C4' energy: -47.547
flat angles C4'-P-C4' energy: -54.245
flat angles P-C4'-P energy: -42.069
tors. eta vs tors. theta energy: -68.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -905.545773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.545773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.545773 (E_RNA)
where:
Base-Base interactions energy: -621.670
where: short stacking energy: -248.973
Base-Backbone interact. energy: -0.602
local terms energy: -283.274088
where:
bonds (distance) C4'-P energy: -57.853
bonds (distance) P-C4' energy: -46.526
flat angles C4'-P-C4' energy: -62.509
flat angles P-C4'-P energy: -44.133
tors. eta vs tors. theta energy: -72.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -785.614361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.614361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.614361 (E_RNA)
where:
Base-Base interactions energy: -526.190
where: short stacking energy: -222.329
Base-Backbone interact. energy: -0.233
local terms energy: -259.191625
where:
bonds (distance) C4'-P energy: -55.540
bonds (distance) P-C4' energy: -45.092
flat angles C4'-P-C4' energy: -52.627
flat angles P-C4'-P energy: -38.136
tors. eta vs tors. theta energy: -67.797
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: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -785.297395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.297395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.297395 (E_RNA)
where:
Base-Base interactions energy: -528.959
where: short stacking energy: -246.172
Base-Backbone interact. energy: -0.231
local terms energy: -256.106930
where:
bonds (distance) C4'-P energy: -47.177
bonds (distance) P-C4' energy: -50.027
flat angles C4'-P-C4' energy: -56.347
flat angles P-C4'-P energy: -38.899
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: 6, replica: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -708.335841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.335841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.335841 (E_RNA)
where:
Base-Base interactions energy: -456.505
where: short stacking energy: -182.314
Base-Backbone interact. energy: -3.027
local terms energy: -248.803852
where:
bonds (distance) C4'-P energy: -50.450
bonds (distance) P-C4' energy: -54.309
flat angles C4'-P-C4' energy: -53.030
flat angles P-C4'-P energy: -36.708
tors. eta vs tors. theta energy: -54.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -426.481103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.481103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.481103 (E_RNA)
where:
Base-Base interactions energy: -242.410
where: short stacking energy: -141.553
Base-Backbone interact. energy: -0.032
local terms energy: -184.039733
where:
bonds (distance) C4'-P energy: -41.823
bonds (distance) P-C4' energy: -48.987
flat angles C4'-P-C4' energy: -45.301
flat angles P-C4'-P energy: -21.470
tors. eta vs tors. theta energy: -26.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -479.982156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.982156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.982156 (E_RNA)
where:
Base-Base interactions energy: -287.535
where: short stacking energy: -133.981
Base-Backbone interact. energy: 3.483
local terms energy: -195.930417
where:
bonds (distance) C4'-P energy: -42.925
bonds (distance) P-C4' energy: -48.890
flat angles C4'-P-C4' energy: -52.112
flat angles P-C4'-P energy: -22.028
tors. eta vs tors. theta energy: -29.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -247.056806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.056806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.056806 (E_RNA)
where:
Base-Base interactions energy: -91.176
where: short stacking energy: -84.364
Base-Backbone interact. energy: -0.947
local terms energy: -154.934076
where:
bonds (distance) C4'-P energy: -44.461
bonds (distance) P-C4' energy: -41.019
flat angles C4'-P-C4' energy: -49.928
flat angles P-C4'-P energy: -22.759
tors. eta vs tors. theta energy: 3.233
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: 8
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -229.549045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.549045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.549045 (E_RNA)
where:
Base-Base interactions energy: -79.930
where: short stacking energy: -71.835
Base-Backbone interact. energy: -0.640
local terms energy: -148.979682
where:
bonds (distance) C4'-P energy: -32.362
bonds (distance) P-C4' energy: -48.773
flat angles C4'-P-C4' energy: -47.745
flat angles P-C4'-P energy: -22.266
tors. eta vs tors. theta energy: 2.166
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: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -949.558033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.558033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.558033 (E_RNA)
where:
Base-Base interactions energy: -653.369
where: short stacking energy: -283.265
Base-Backbone interact. energy: 0.060
local terms energy: -296.248635
where:
bonds (distance) C4'-P energy: -60.685
bonds (distance) P-C4' energy: -54.966
flat angles C4'-P-C4' energy: -53.680
flat angles P-C4'-P energy: -45.033
tors. eta vs tors. theta energy: -81.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -919.362900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.362900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.362900 (E_RNA)
where:
Base-Base interactions energy: -644.436
where: short stacking energy: -250.271
Base-Backbone interact. energy: -0.801
local terms energy: -274.125473
where:
bonds (distance) C4'-P energy: -51.351
bonds (distance) P-C4' energy: -60.892
flat angles C4'-P-C4' energy: -53.785
flat angles P-C4'-P energy: -30.936
tors. eta vs tors. theta energy: -77.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -853.888283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.888283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.888283 (E_RNA)
where:
Base-Base interactions energy: -591.761
where: short stacking energy: -238.354
Base-Backbone interact. energy: 2.086
local terms energy: -264.213067
where:
bonds (distance) C4'-P energy: -46.326
bonds (distance) P-C4' energy: -58.027
flat angles C4'-P-C4' energy: -52.330
flat angles P-C4'-P energy: -44.799
tors. eta vs tors. theta energy: -62.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -827.910589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.910589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.910589 (E_RNA)
where:
Base-Base interactions energy: -565.797
where: short stacking energy: -235.289
Base-Backbone interact. energy: -1.061
local terms energy: -261.053177
where:
bonds (distance) C4'-P energy: -48.237
bonds (distance) P-C4' energy: -44.131
flat angles C4'-P-C4' energy: -54.697
flat angles P-C4'-P energy: -37.335
tors. eta vs tors. theta energy: -76.653
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: 369
Temperature: 1.100000
Total energy: -761.820787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.820787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.820787 (E_RNA)
where:
Base-Base interactions energy: -515.339
where: short stacking energy: -219.567
Base-Backbone interact. energy: -0.832
local terms energy: -245.649064
where:
bonds (distance) C4'-P energy: -46.914
bonds (distance) P-C4' energy: -48.663
flat angles C4'-P-C4' energy: -51.334
flat angles P-C4'-P energy: -42.984
tors. eta vs tors. theta energy: -55.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -725.111874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.111874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.111874 (E_RNA)
where:
Base-Base interactions energy: -489.291
where: short stacking energy: -210.555
Base-Backbone interact. energy: -0.537
local terms energy: -235.283409
where:
bonds (distance) C4'-P energy: -42.082
bonds (distance) P-C4' energy: -44.744
flat angles C4'-P-C4' energy: -49.094
flat angles P-C4'-P energy: -38.786
tors. eta vs tors. theta energy: -60.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -445.768849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.768849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.768849 (E_RNA)
where:
Base-Base interactions energy: -259.439
where: short stacking energy: -140.963
Base-Backbone interact. energy: 1.772
local terms energy: -188.101323
where:
bonds (distance) C4'-P energy: -31.963
bonds (distance) P-C4' energy: -63.654
flat angles C4'-P-C4' energy: -43.958
flat angles P-C4'-P energy: -21.601
tors. eta vs tors. theta energy: -26.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -519.024201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.024201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.024201 (E_RNA)
where:
Base-Base interactions energy: -312.964
where: short stacking energy: -167.032
Base-Backbone interact. energy: 2.263
local terms energy: -208.323089
where:
bonds (distance) C4'-P energy: -56.095
bonds (distance) P-C4' energy: -48.188
flat angles C4'-P-C4' energy: -52.051
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -35.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -275.615170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.615170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.615170 (E_RNA)
where:
Base-Base interactions energy: -118.702
where: short stacking energy: -84.653
Base-Backbone interact. energy: -0.745
local terms energy: -156.168263
where:
bonds (distance) C4'-P energy: -42.285
bonds (distance) P-C4' energy: -42.292
flat angles C4'-P-C4' energy: -49.205
flat angles P-C4'-P energy: -31.623
tors. eta vs tors. theta energy: 9.237
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: 369
Temperature: 1.350000
Total energy: -218.321516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.321516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.321516 (E_RNA)
where:
Base-Base interactions energy: -84.108
where: short stacking energy: -80.802
Base-Backbone interact. energy: 0.172
local terms energy: -134.385579
where:
bonds (distance) C4'-P energy: -28.683
bonds (distance) P-C4' energy: -48.806
flat angles C4'-P-C4' energy: -33.940
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -938.616917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.616917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.616917 (E_RNA)
where:
Base-Base interactions energy: -651.464
where: short stacking energy: -270.477
Base-Backbone interact. energy: -0.128
local terms energy: -287.025798
where:
bonds (distance) C4'-P energy: -54.664
bonds (distance) P-C4' energy: -59.304
flat angles C4'-P-C4' energy: -53.340
flat angles P-C4'-P energy: -36.803
tors. eta vs tors. theta energy: -82.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -934.165788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.165788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.165788 (E_RNA)
where:
Base-Base interactions energy: -652.961
where: short stacking energy: -261.711
Base-Backbone interact. energy: -2.469
local terms energy: -278.735546
where:
bonds (distance) C4'-P energy: -49.394
bonds (distance) P-C4' energy: -55.564
flat angles C4'-P-C4' energy: -54.426
flat angles P-C4'-P energy: -32.765
tors. eta vs tors. theta energy: -86.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -870.261630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.261630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.261630 (E_RNA)
where:
Base-Base interactions energy: -600.523
where: short stacking energy: -242.666
Base-Backbone interact. energy: -1.154
local terms energy: -268.584797
where:
bonds (distance) C4'-P energy: -48.126
bonds (distance) P-C4' energy: -52.856
flat angles C4'-P-C4' energy: -60.813
flat angles P-C4'-P energy: -40.011
tors. eta vs tors. theta energy: -66.779
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: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -814.324002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.324002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.324002 (E_RNA)
where:
Base-Base interactions energy: -568.672
where: short stacking energy: -244.798
Base-Backbone interact. energy: -1.348
local terms energy: -244.304364
where:
bonds (distance) C4'-P energy: -50.297
bonds (distance) P-C4' energy: -32.650
flat angles C4'-P-C4' energy: -56.385
flat angles P-C4'-P energy: -28.445
tors. eta vs tors. theta energy: -76.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -767.827385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.827385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.827385 (E_RNA)
where:
Base-Base interactions energy: -529.476
where: short stacking energy: -224.231
Base-Backbone interact. energy: -0.909
local terms energy: -237.442240
where:
bonds (distance) C4'-P energy: -50.017
bonds (distance) P-C4' energy: -47.037
flat angles C4'-P-C4' energy: -52.624
flat angles P-C4'-P energy: -29.398
tors. eta vs tors. theta energy: -58.366
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: 6
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -735.458232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.458232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.458232 (E_RNA)
where:
Base-Base interactions energy: -487.057
where: short stacking energy: -218.141
Base-Backbone interact. energy: 0.077
local terms energy: -248.477590
where:
bonds (distance) C4'-P energy: -47.754
bonds (distance) P-C4' energy: -47.392
flat angles C4'-P-C4' energy: -58.847
flat angles P-C4'-P energy: -34.030
tors. eta vs tors. theta energy: -60.454
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: 7, replica: 7
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -550.969106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.969106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.969106 (E_RNA)
where:
Base-Base interactions energy: -333.952
where: short stacking energy: -174.808
Base-Backbone interact. energy: -1.676
local terms energy: -215.340565
where:
bonds (distance) C4'-P energy: -43.425
bonds (distance) P-C4' energy: -50.867
flat angles C4'-P-C4' energy: -43.057
flat angles P-C4'-P energy: -31.829
tors. eta vs tors. theta energy: -46.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -426.150355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.150355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.150355 (E_RNA)
where:
Base-Base interactions energy: -212.399
where: short stacking energy: -110.725
Base-Backbone interact. energy: -0.373
local terms energy: -213.377844
where:
bonds (distance) C4'-P energy: -47.748
bonds (distance) P-C4' energy: -58.370
flat angles C4'-P-C4' energy: -50.464
flat angles P-C4'-P energy: -36.251
tors. eta vs tors. theta energy: -20.545
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: 370
Temperature: 1.300000
Total energy: -236.597684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.597684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.597684 (E_RNA)
where:
Base-Base interactions energy: -75.145
where: short stacking energy: -66.988
Base-Backbone interact. energy: -0.140
local terms energy: -161.312433
where:
bonds (distance) C4'-P energy: -48.123
bonds (distance) P-C4' energy: -53.689
flat angles C4'-P-C4' energy: -49.061
flat angles P-C4'-P energy: -18.311
tors. eta vs tors. theta energy: 7.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -261.708481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.708481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.708481 (E_RNA)
where:
Base-Base interactions energy: -112.613
where: short stacking energy: -87.943
Base-Backbone interact. energy: -0.822
local terms energy: -148.272610
where:
bonds (distance) C4'-P energy: -38.853
bonds (distance) P-C4' energy: -40.184
flat angles C4'-P-C4' energy: -41.004
flat angles P-C4'-P energy: -31.872
tors. eta vs tors. theta energy: 3.639
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: 371
Temperature: 0.900000
Total energy: -918.309495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.309495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.309495 (E_RNA)
where:
Base-Base interactions energy: -641.631
where: short stacking energy: -252.431
Base-Backbone interact. energy: -2.439
local terms energy: -274.240261
where:
bonds (distance) C4'-P energy: -51.069
bonds (distance) P-C4' energy: -51.490
flat angles C4'-P-C4' energy: -55.155
flat angles P-C4'-P energy: -44.778
tors. eta vs tors. theta energy: -71.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -911.002769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.002769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.002769 (E_RNA)
where:
Base-Base interactions energy: -623.207
where: short stacking energy: -249.901
Base-Backbone interact. energy: 0.333
local terms energy: -288.129308
where:
bonds (distance) C4'-P energy: -52.807
bonds (distance) P-C4' energy: -53.604
flat angles C4'-P-C4' energy: -63.859
flat angles P-C4'-P energy: -41.449
tors. eta vs tors. theta energy: -76.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -917.366661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.366661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.366661 (E_RNA)
where:
Base-Base interactions energy: -646.689
where: short stacking energy: -272.990
Base-Backbone interact. energy: -1.484
local terms energy: -269.193700
where:
bonds (distance) C4'-P energy: -44.288
bonds (distance) P-C4' energy: -56.405
flat angles C4'-P-C4' energy: -58.758
flat angles P-C4'-P energy: -26.756
tors. eta vs tors. theta energy: -82.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -803.480497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.480497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.480497 (E_RNA)
where:
Base-Base interactions energy: -545.315
where: short stacking energy: -237.856
Base-Backbone interact. energy: -0.898
local terms energy: -257.267432
where:
bonds (distance) C4'-P energy: -43.989
bonds (distance) P-C4' energy: -50.739
flat angles C4'-P-C4' energy: -57.731
flat angles P-C4'-P energy: -34.144
tors. eta vs tors. theta energy: -70.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -763.246602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.246602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.246602 (E_RNA)
where:
Base-Base interactions energy: -526.037
where: short stacking energy: -244.028
Base-Backbone interact. energy: 0.780
local terms energy: -237.989891
where:
bonds (distance) C4'-P energy: -43.009
bonds (distance) P-C4' energy: -49.624
flat angles C4'-P-C4' energy: -49.834
flat angles P-C4'-P energy: -33.144
tors. eta vs tors. theta energy: -62.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -743.590287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.590287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.590287 (E_RNA)
where:
Base-Base interactions energy: -497.651
where: short stacking energy: -226.843
Base-Backbone interact. energy: -1.267
local terms energy: -244.671873
where:
bonds (distance) C4'-P energy: -46.671
bonds (distance) P-C4' energy: -52.768
flat angles C4'-P-C4' energy: -58.030
flat angles P-C4'-P energy: -23.439
tors. eta vs tors. theta energy: -63.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -567.464136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.464136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.464136 (E_RNA)
where:
Base-Base interactions energy: -347.342
where: short stacking energy: -166.929
Base-Backbone interact. energy: -0.558
local terms energy: -219.564404
where:
bonds (distance) C4'-P energy: -37.024
bonds (distance) P-C4' energy: -45.363
flat angles C4'-P-C4' energy: -58.266
flat angles P-C4'-P energy: -29.708
tors. eta vs tors. theta energy: -49.203
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: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -424.249159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.249159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.249159 (E_RNA)
where:
Base-Base interactions energy: -221.266
where: short stacking energy: -128.023
Base-Backbone interact. energy: -1.335
local terms energy: -201.647533
where:
bonds (distance) C4'-P energy: -43.031
bonds (distance) P-C4' energy: -54.476
flat angles C4'-P-C4' energy: -51.639
flat angles P-C4'-P energy: -32.999
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -237.248055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.248055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.248055 (E_RNA)
where:
Base-Base interactions energy: -92.166
where: short stacking energy: -81.203
Base-Backbone interact. energy: -1.047
local terms energy: -144.035267
where:
bonds (distance) C4'-P energy: -41.435
bonds (distance) P-C4' energy: -49.228
flat angles C4'-P-C4' energy: -38.663
flat angles P-C4'-P energy: -25.543
tors. eta vs tors. theta energy: 10.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -236.700084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.700084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.700084 (E_RNA)
where:
Base-Base interactions energy: -68.002
where: short stacking energy: -56.829
Base-Backbone interact. energy: -2.449
local terms energy: -166.249552
where:
bonds (distance) C4'-P energy: -40.534
bonds (distance) P-C4' energy: -56.674
flat angles C4'-P-C4' energy: -40.921
flat angles P-C4'-P energy: -27.872
tors. eta vs tors. theta energy: -0.249
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: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -927.272966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.272966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.272966 (E_RNA)
where:
Base-Base interactions energy: -637.701
where: short stacking energy: -271.280
Base-Backbone interact. energy: -0.023
local terms energy: -289.549535
where:
bonds (distance) C4'-P energy: -56.164
bonds (distance) P-C4' energy: -53.812
flat angles C4'-P-C4' energy: -57.581
flat angles P-C4'-P energy: -34.978
tors. eta vs tors. theta energy: -87.014
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: 2, replica: 5
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -928.782566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.782566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.782566 (E_RNA)
where:
Base-Base interactions energy: -650.616
where: short stacking energy: -265.825
Base-Backbone interact. energy: 2.447
local terms energy: -280.613249
where:
bonds (distance) C4'-P energy: -51.811
bonds (distance) P-C4' energy: -53.664
flat angles C4'-P-C4' energy: -64.108
flat angles P-C4'-P energy: -35.579
tors. eta vs tors. theta energy: -75.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -910.822426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.822426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.822426 (E_RNA)
where:
Base-Base interactions energy: -636.329
where: short stacking energy: -273.964
Base-Backbone interact. energy: 0.478
local terms energy: -274.970671
where:
bonds (distance) C4'-P energy: -45.969
bonds (distance) P-C4' energy: -51.238
flat angles C4'-P-C4' energy: -56.058
flat angles P-C4'-P energy: -34.203
tors. eta vs tors. theta energy: -87.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -786.228074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.228074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.228074 (E_RNA)
where:
Base-Base interactions energy: -517.167
where: short stacking energy: -221.351
Base-Backbone interact. energy: -0.072
local terms energy: -268.989122
where:
bonds (distance) C4'-P energy: -56.917
bonds (distance) P-C4' energy: -47.962
flat angles C4'-P-C4' energy: -56.143
flat angles P-C4'-P energy: -43.647
tors. eta vs tors. theta energy: -64.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -770.049377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.049377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.049377 (E_RNA)
where:
Base-Base interactions energy: -512.096
where: short stacking energy: -220.309
Base-Backbone interact. energy: -1.906
local terms energy: -256.047111
where:
bonds (distance) C4'-P energy: -41.782
bonds (distance) P-C4' energy: -56.137
flat angles C4'-P-C4' energy: -57.267
flat angles P-C4'-P energy: -41.902
tors. eta vs tors. theta energy: -58.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -714.618261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.618261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.618261 (E_RNA)
where:
Base-Base interactions energy: -473.944
where: short stacking energy: -216.099
Base-Backbone interact. energy: -1.141
local terms energy: -239.532992
where:
bonds (distance) C4'-P energy: -38.945
bonds (distance) P-C4' energy: -59.032
flat angles C4'-P-C4' energy: -40.689
flat angles P-C4'-P energy: -36.039
tors. eta vs tors. theta energy: -64.827
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: 372
Temperature: 1.200000
Total energy: -542.226912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.226912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.226912 (E_RNA)
where:
Base-Base interactions energy: -340.234
where: short stacking energy: -172.100
Base-Backbone interact. energy: -0.835
local terms energy: -201.157670
where:
bonds (distance) C4'-P energy: -37.766
bonds (distance) P-C4' energy: -47.557
flat angles C4'-P-C4' energy: -48.321
flat angles P-C4'-P energy: -30.363
tors. eta vs tors. theta energy: -37.151
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: 8, replica: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -402.954039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.954039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.954039 (E_RNA)
where:
Base-Base interactions energy: -195.490
where: short stacking energy: -109.673
Base-Backbone interact. energy: 0.324
local terms energy: -207.788044
where:
bonds (distance) C4'-P energy: -49.226
bonds (distance) P-C4' energy: -47.568
flat angles C4'-P-C4' energy: -53.293
flat angles P-C4'-P energy: -38.658
tors. eta vs tors. theta energy: -19.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -236.831347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.831347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.831347 (E_RNA)
where:
Base-Base interactions energy: -83.683
where: short stacking energy: -70.128
Base-Backbone interact. energy: -1.083
local terms energy: -152.065074
where:
bonds (distance) C4'-P energy: -46.954
bonds (distance) P-C4' energy: -40.499
flat angles C4'-P-C4' energy: -43.294
flat angles P-C4'-P energy: -25.585
tors. eta vs tors. theta energy: 4.268
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: 372
Temperature: 1.350000
Total energy: -217.182646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.182646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.182646 (E_RNA)
where:
Base-Base interactions energy: -87.277
where: short stacking energy: -70.386
Base-Backbone interact. energy: -2.560
local terms energy: -127.346154
where:
bonds (distance) C4'-P energy: -31.480
bonds (distance) P-C4' energy: -49.765
flat angles C4'-P-C4' energy: -37.230
flat angles P-C4'-P energy: -17.405
tors. eta vs tors. theta energy: 8.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -923.013757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.013757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.013757 (E_RNA)
where:
Base-Base interactions energy: -634.049
where: short stacking energy: -276.920
Base-Backbone interact. energy: -0.007
local terms energy: -288.958114
where:
bonds (distance) C4'-P energy: -53.823
bonds (distance) P-C4' energy: -46.040
flat angles C4'-P-C4' energy: -66.801
flat angles P-C4'-P energy: -34.810
tors. eta vs tors. theta energy: -87.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -939.686936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.686936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.686936 (E_RNA)
where:
Base-Base interactions energy: -656.832
where: short stacking energy: -282.439
Base-Backbone interact. energy: -0.645
local terms energy: -282.209952
where:
bonds (distance) C4'-P energy: -49.235
bonds (distance) P-C4' energy: -53.254
flat angles C4'-P-C4' energy: -60.956
flat angles P-C4'-P energy: -39.827
tors. eta vs tors. theta energy: -78.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -888.891756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.891756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.891756 (E_RNA)
where:
Base-Base interactions energy: -615.639
where: short stacking energy: -247.365
Base-Backbone interact. energy: -1.107
local terms energy: -272.146143
where:
bonds (distance) C4'-P energy: -42.023
bonds (distance) P-C4' energy: -56.808
flat angles C4'-P-C4' energy: -57.453
flat angles P-C4'-P energy: -42.035
tors. eta vs tors. theta energy: -73.829
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: 373
Temperature: 1.050000
Total energy: -813.228976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.228976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.228976 (E_RNA)
where:
Base-Base interactions energy: -547.737
where: short stacking energy: -249.548
Base-Backbone interact. energy: -1.721
local terms energy: -263.771113
where:
bonds (distance) C4'-P energy: -48.081
bonds (distance) P-C4' energy: -50.531
flat angles C4'-P-C4' energy: -52.273
flat angles P-C4'-P energy: -38.592
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: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -807.192154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.192154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.192154 (E_RNA)
where:
Base-Base interactions energy: -549.429
where: short stacking energy: -243.630
Base-Backbone interact. energy: -0.355
local terms energy: -257.408831
where:
bonds (distance) C4'-P energy: -47.581
bonds (distance) P-C4' energy: -47.403
flat angles C4'-P-C4' energy: -56.378
flat angles P-C4'-P energy: -28.905
tors. eta vs tors. theta energy: -77.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -709.826916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.826916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.826916 (E_RNA)
where:
Base-Base interactions energy: -473.276
where: short stacking energy: -205.215
Base-Backbone interact. energy: -0.962
local terms energy: -235.588641
where:
bonds (distance) C4'-P energy: -52.387
bonds (distance) P-C4' energy: -38.710
flat angles C4'-P-C4' energy: -53.239
flat angles P-C4'-P energy: -31.340
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: 7, replica: 7
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -550.844557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.844557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.844557 (E_RNA)
where:
Base-Base interactions energy: -345.114
where: short stacking energy: -177.315
Base-Backbone interact. energy: -0.914
local terms energy: -204.816221
where:
bonds (distance) C4'-P energy: -46.135
bonds (distance) P-C4' energy: -40.011
flat angles C4'-P-C4' energy: -44.301
flat angles P-C4'-P energy: -33.306
tors. eta vs tors. theta energy: -41.064
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: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -429.423827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.423827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.423827 (E_RNA)
where:
Base-Base interactions energy: -215.983
where: short stacking energy: -108.480
Base-Backbone interact. energy: 0.019
local terms energy: -213.459628
where:
bonds (distance) C4'-P energy: -55.627
bonds (distance) P-C4' energy: -39.806
flat angles C4'-P-C4' energy: -59.694
flat angles P-C4'-P energy: -27.570
tors. eta vs tors. theta energy: -30.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -292.068133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.068133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.068133 (E_RNA)
where:
Base-Base interactions energy: -128.831
where: short stacking energy: -78.632
Base-Backbone interact. energy: -1.475
local terms energy: -161.762895
where:
bonds (distance) C4'-P energy: -45.194
bonds (distance) P-C4' energy: -38.119
flat angles C4'-P-C4' energy: -50.387
flat angles P-C4'-P energy: -29.600
tors. eta vs tors. theta energy: 1.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -293.395878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.395878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.395878 (E_RNA)
where:
Base-Base interactions energy: -151.862
where: short stacking energy: -87.696
Base-Backbone interact. energy: -2.650
local terms energy: -138.883932
where:
bonds (distance) C4'-P energy: -28.941
bonds (distance) P-C4' energy: -41.653
flat angles C4'-P-C4' energy: -42.592
flat angles P-C4'-P energy: -23.092
tors. eta vs tors. theta energy: -2.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -957.607811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.607811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.607811 (E_RNA)
where:
Base-Base interactions energy: -660.384
where: short stacking energy: -290.625
Base-Backbone interact. energy: 1.079
local terms energy: -298.303059
where:
bonds (distance) C4'-P energy: -58.908
bonds (distance) P-C4' energy: -54.182
flat angles C4'-P-C4' energy: -62.493
flat angles P-C4'-P energy: -37.829
tors. eta vs tors. theta energy: -84.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -896.390248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.390248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.390248 (E_RNA)
where:
Base-Base interactions energy: -632.317
where: short stacking energy: -253.290
Base-Backbone interact. energy: 0.743
local terms energy: -264.816558
where:
bonds (distance) C4'-P energy: -51.027
bonds (distance) P-C4' energy: -45.949
flat angles C4'-P-C4' energy: -59.134
flat angles P-C4'-P energy: -34.511
tors. eta vs tors. theta energy: -74.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -896.349794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.349794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.349794 (E_RNA)
where:
Base-Base interactions energy: -634.600
where: short stacking energy: -265.098
Base-Backbone interact. energy: -1.002
local terms energy: -260.747345
where:
bonds (distance) C4'-P energy: -41.709
bonds (distance) P-C4' energy: -44.815
flat angles C4'-P-C4' energy: -64.039
flat angles P-C4'-P energy: -33.818
tors. eta vs tors. theta energy: -76.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -811.652613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.652613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.652613 (E_RNA)
where:
Base-Base interactions energy: -539.534
where: short stacking energy: -232.176
Base-Backbone interact. energy: -1.063
local terms energy: -271.055591
where:
bonds (distance) C4'-P energy: -53.130
bonds (distance) P-C4' energy: -57.195
flat angles C4'-P-C4' energy: -55.095
flat angles P-C4'-P energy: -41.012
tors. eta vs tors. theta energy: -64.623
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: 374
Temperature: 1.100000
Total energy: -794.645867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.645867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.645867 (E_RNA)
where:
Base-Base interactions energy: -544.706
where: short stacking energy: -241.100
Base-Backbone interact. energy: -0.903
local terms energy: -249.036774
where:
bonds (distance) C4'-P energy: -39.020
bonds (distance) P-C4' energy: -47.604
flat angles C4'-P-C4' energy: -60.404
flat angles P-C4'-P energy: -31.634
tors. eta vs tors. theta energy: -70.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -759.430266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.430266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.430266 (E_RNA)
where:
Base-Base interactions energy: -507.638
where: short stacking energy: -214.316
Base-Backbone interact. energy: 0.256
local terms energy: -252.047564
where:
bonds (distance) C4'-P energy: -59.880
bonds (distance) P-C4' energy: -41.782
flat angles C4'-P-C4' energy: -48.927
flat angles P-C4'-P energy: -35.330
tors. eta vs tors. theta energy: -66.128
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: 7
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -536.468845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.468845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.468845 (E_RNA)
where:
Base-Base interactions energy: -318.741
where: short stacking energy: -170.313
Base-Backbone interact. energy: -0.126
local terms energy: -217.601235
where:
bonds (distance) C4'-P energy: -42.693
bonds (distance) P-C4' energy: -46.476
flat angles C4'-P-C4' energy: -50.605
flat angles P-C4'-P energy: -36.715
tors. eta vs tors. theta energy: -41.111
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: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -417.897304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.897304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.897304 (E_RNA)
where:
Base-Base interactions energy: -218.871
where: short stacking energy: -123.521
Base-Backbone interact. energy: -0.085
local terms energy: -198.941626
where:
bonds (distance) C4'-P energy: -48.177
bonds (distance) P-C4' energy: -52.554
flat angles C4'-P-C4' energy: -42.345
flat angles P-C4'-P energy: -36.572
tors. eta vs tors. theta energy: -19.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -321.788160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.788160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.788160 (E_RNA)
where:
Base-Base interactions energy: -155.885
where: short stacking energy: -74.485
Base-Backbone interact. energy: -0.585
local terms energy: -165.317520
where:
bonds (distance) C4'-P energy: -53.660
bonds (distance) P-C4' energy: -42.145
flat angles C4'-P-C4' energy: -35.423
flat angles P-C4'-P energy: -32.065
tors. eta vs tors. theta energy: -2.024
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: 374
Temperature: 1.350000
Total energy: -267.647183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.647183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.647183 (E_RNA)
where:
Base-Base interactions energy: -113.959
where: short stacking energy: -86.571
Base-Backbone interact. energy: -2.361
local terms energy: -151.326953
where:
bonds (distance) C4'-P energy: -48.724
bonds (distance) P-C4' energy: -42.524
flat angles C4'-P-C4' energy: -31.277
flat angles P-C4'-P energy: -28.401
tors. eta vs tors. theta energy: -0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -944.220914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.220914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.220914 (E_RNA)
where:
Base-Base interactions energy: -652.429
where: short stacking energy: -267.243
Base-Backbone interact. energy: -0.547
local terms energy: -291.245081
where:
bonds (distance) C4'-P energy: -51.883
bonds (distance) P-C4' energy: -61.242
flat angles C4'-P-C4' energy: -57.209
flat angles P-C4'-P energy: -37.472
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: 2, replica: 5
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -896.063899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.063899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.063899 (E_RNA)
where:
Base-Base interactions energy: -603.487
where: short stacking energy: -242.402
Base-Backbone interact. energy: -0.275
local terms energy: -292.302136
where:
bonds (distance) C4'-P energy: -52.044
bonds (distance) P-C4' energy: -57.298
flat angles C4'-P-C4' energy: -66.756
flat angles P-C4'-P energy: -43.443
tors. eta vs tors. theta energy: -72.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -875.553564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.553564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.553564 (E_RNA)
where:
Base-Base interactions energy: -603.014
where: short stacking energy: -244.193
Base-Backbone interact. energy: -0.783
local terms energy: -271.756230
where:
bonds (distance) C4'-P energy: -50.547
bonds (distance) P-C4' energy: -44.996
flat angles C4'-P-C4' energy: -51.751
flat angles P-C4'-P energy: -43.937
tors. eta vs tors. theta energy: -80.525
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: 4, replica: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -794.954167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.954167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.954167 (E_RNA)
where:
Base-Base interactions energy: -537.304
where: short stacking energy: -241.075
Base-Backbone interact. energy: -1.658
local terms energy: -255.992371
where:
bonds (distance) C4'-P energy: -45.153
bonds (distance) P-C4' energy: -54.662
flat angles C4'-P-C4' energy: -48.260
flat angles P-C4'-P energy: -35.415
tors. eta vs tors. theta energy: -72.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -777.962467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.962467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.962467 (E_RNA)
where:
Base-Base interactions energy: -527.017
where: short stacking energy: -221.517
Base-Backbone interact. energy: -0.228
local terms energy: -250.718029
where:
bonds (distance) C4'-P energy: -41.759
bonds (distance) P-C4' energy: -46.740
flat angles C4'-P-C4' energy: -51.941
flat angles P-C4'-P energy: -37.637
tors. eta vs tors. theta energy: -72.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -772.732807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.732807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.732807 (E_RNA)
where:
Base-Base interactions energy: -523.212
where: short stacking energy: -217.487
Base-Backbone interact. energy: -0.619
local terms energy: -248.902433
where:
bonds (distance) C4'-P energy: -47.550
bonds (distance) P-C4' energy: -41.779
flat angles C4'-P-C4' energy: -50.458
flat angles P-C4'-P energy: -36.558
tors. eta vs tors. theta energy: -72.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -539.100742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.100742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.100742 (E_RNA)
where:
Base-Base interactions energy: -329.661
where: short stacking energy: -186.187
Base-Backbone interact. energy: 2.502
local terms energy: -211.941650
where:
bonds (distance) C4'-P energy: -51.459
bonds (distance) P-C4' energy: -50.180
flat angles C4'-P-C4' energy: -37.862
flat angles P-C4'-P energy: -28.206
tors. eta vs tors. theta energy: -44.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -418.489828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.489828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.489828 (E_RNA)
where:
Base-Base interactions energy: -229.180
where: short stacking energy: -128.176
Base-Backbone interact. energy: -0.700
local terms energy: -188.609640
where:
bonds (distance) C4'-P energy: -49.654
bonds (distance) P-C4' energy: -42.002
flat angles C4'-P-C4' energy: -46.880
flat angles P-C4'-P energy: -23.698
tors. eta vs tors. theta energy: -26.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -326.653962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.653962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.653962 (E_RNA)
where:
Base-Base interactions energy: -178.163
where: short stacking energy: -94.512
Base-Backbone interact. energy: -1.511
local terms energy: -146.979911
where:
bonds (distance) C4'-P energy: -42.488
bonds (distance) P-C4' energy: -40.413
flat angles C4'-P-C4' energy: -34.445
flat angles P-C4'-P energy: -23.703
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -224.328340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.328340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.328340 (E_RNA)
where:
Base-Base interactions energy: -73.290
where: short stacking energy: -50.997
Base-Backbone interact. energy: -0.638
local terms energy: -150.400654
where:
bonds (distance) C4'-P energy: -50.081
bonds (distance) P-C4' energy: -44.017
flat angles C4'-P-C4' energy: -41.479
flat angles P-C4'-P energy: -26.631
tors. eta vs tors. theta energy: 11.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -954.775796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.775796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.775796 (E_RNA)
where:
Base-Base interactions energy: -671.772
where: short stacking energy: -276.075
Base-Backbone interact. energy: 0.799
local terms energy: -283.803104
where:
bonds (distance) C4'-P energy: -53.064
bonds (distance) P-C4' energy: -42.523
flat angles C4'-P-C4' energy: -61.176
flat angles P-C4'-P energy: -45.543
tors. eta vs tors. theta energy: -81.497
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: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -898.102049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.102049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.102049 (E_RNA)
where:
Base-Base interactions energy: -610.327
where: short stacking energy: -258.550
Base-Backbone interact. energy: -0.988
local terms energy: -286.786666
where:
bonds (distance) C4'-P energy: -58.004
bonds (distance) P-C4' energy: -53.558
flat angles C4'-P-C4' energy: -60.275
flat angles P-C4'-P energy: -43.003
tors. eta vs tors. theta energy: -71.947
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: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -891.552909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.552909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.552909 (E_RNA)
where:
Base-Base interactions energy: -617.495
where: short stacking energy: -252.196
Base-Backbone interact. energy: 0.485
local terms energy: -274.542710
where:
bonds (distance) C4'-P energy: -54.566
bonds (distance) P-C4' energy: -52.503
flat angles C4'-P-C4' energy: -54.652
flat angles P-C4'-P energy: -37.519
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: 10
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -803.179493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.179493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.179493 (E_RNA)
where:
Base-Base interactions energy: -532.721
where: short stacking energy: -237.733
Base-Backbone interact. energy: 0.098
local terms energy: -270.556889
where:
bonds (distance) C4'-P energy: -49.883
bonds (distance) P-C4' energy: -58.353
flat angles C4'-P-C4' energy: -59.702
flat angles P-C4'-P energy: -37.409
tors. eta vs tors. theta energy: -65.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -754.010712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.010712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.010712 (E_RNA)
where:
Base-Base interactions energy: -513.899
where: short stacking energy: -214.796
Base-Backbone interact. energy: -1.316
local terms energy: -238.796221
where:
bonds (distance) C4'-P energy: -44.475
bonds (distance) P-C4' energy: -37.520
flat angles C4'-P-C4' energy: -51.534
flat angles P-C4'-P energy: -35.086
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: 6, replica: 6
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -733.536103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.536103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.536103 (E_RNA)
where:
Base-Base interactions energy: -472.540
where: short stacking energy: -197.171
Base-Backbone interact. energy: -1.054
local terms energy: -259.942442
where:
bonds (distance) C4'-P energy: -46.011
bonds (distance) P-C4' energy: -51.620
flat angles C4'-P-C4' energy: -64.516
flat angles P-C4'-P energy: -39.400
tors. eta vs tors. theta energy: -58.395
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: 7
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -532.754355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.754355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.754355 (E_RNA)
where:
Base-Base interactions energy: -336.430
where: short stacking energy: -161.445
Base-Backbone interact. energy: -0.600
local terms energy: -195.724474
where:
bonds (distance) C4'-P energy: -48.487
bonds (distance) P-C4' energy: -44.109
flat angles C4'-P-C4' energy: -39.048
flat angles P-C4'-P energy: -30.412
tors. eta vs tors. theta energy: -33.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -440.056375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.056375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.056375 (E_RNA)
where:
Base-Base interactions energy: -255.838
where: short stacking energy: -146.669
Base-Backbone interact. energy: -0.866
local terms energy: -183.351556
where:
bonds (distance) C4'-P energy: -45.914
bonds (distance) P-C4' energy: -41.345
flat angles C4'-P-C4' energy: -43.070
flat angles P-C4'-P energy: -25.319
tors. eta vs tors. theta energy: -27.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -317.839152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.839152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.839152 (E_RNA)
where:
Base-Base interactions energy: -157.825
where: short stacking energy: -91.033
Base-Backbone interact. energy: 1.395
local terms energy: -161.409523
where:
bonds (distance) C4'-P energy: -43.182
bonds (distance) P-C4' energy: -55.603
flat angles C4'-P-C4' energy: -33.676
flat angles P-C4'-P energy: -31.169
tors. eta vs tors. theta energy: 2.220
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: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -230.797515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.797515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.797515 (E_RNA)
where:
Base-Base interactions energy: -97.833
where: short stacking energy: -81.359
Base-Backbone interact. energy: 6.551
local terms energy: -139.516126
where:
bonds (distance) C4'-P energy: -44.579
bonds (distance) P-C4' energy: -45.516
flat angles C4'-P-C4' energy: -38.632
flat angles P-C4'-P energy: -17.827
tors. eta vs tors. theta energy: 7.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -952.760646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.760646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.760646 (E_RNA)
where:
Base-Base interactions energy: -646.272
where: short stacking energy: -267.584
Base-Backbone interact. energy: -2.036
local terms energy: -304.452543
where:
bonds (distance) C4'-P energy: -56.478
bonds (distance) P-C4' energy: -60.512
flat angles C4'-P-C4' energy: -58.184
flat angles P-C4'-P energy: -45.158
tors. eta vs tors. theta energy: -84.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -906.329166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.329166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.329166 (E_RNA)
where:
Base-Base interactions energy: -634.277
where: short stacking energy: -263.758
Base-Backbone interact. energy: -1.184
local terms energy: -270.868219
where:
bonds (distance) C4'-P energy: -42.268
bonds (distance) P-C4' energy: -42.665
flat angles C4'-P-C4' energy: -66.263
flat angles P-C4'-P energy: -41.925
tors. eta vs tors. theta energy: -77.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -864.890928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.890928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.890928 (E_RNA)
where:
Base-Base interactions energy: -584.614
where: short stacking energy: -230.716
Base-Backbone interact. energy: -0.928
local terms energy: -279.349123
where:
bonds (distance) C4'-P energy: -55.320
bonds (distance) P-C4' energy: -59.512
flat angles C4'-P-C4' energy: -56.808
flat angles P-C4'-P energy: -32.435
tors. eta vs tors. theta energy: -75.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -798.660295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.660295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.660295 (E_RNA)
where:
Base-Base interactions energy: -545.956
where: short stacking energy: -241.530
Base-Backbone interact. energy: -0.340
local terms energy: -252.364751
where:
bonds (distance) C4'-P energy: -47.311
bonds (distance) P-C4' energy: -40.241
flat angles C4'-P-C4' energy: -60.337
flat angles P-C4'-P energy: -39.943
tors. eta vs tors. theta energy: -64.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -752.935927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.935927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.935927 (E_RNA)
where:
Base-Base interactions energy: -496.238
where: short stacking energy: -204.927
Base-Backbone interact. energy: -1.735
local terms energy: -254.963212
where:
bonds (distance) C4'-P energy: -53.733
bonds (distance) P-C4' energy: -46.711
flat angles C4'-P-C4' energy: -53.420
flat angles P-C4'-P energy: -39.852
tors. eta vs tors. theta energy: -61.247
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: 377
Temperature: 1.150000
Total energy: -726.528901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.528901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.528901 (E_RNA)
where:
Base-Base interactions energy: -499.924
where: short stacking energy: -206.996
Base-Backbone interact. energy: -1.170
local terms energy: -225.434192
where:
bonds (distance) C4'-P energy: -51.980
bonds (distance) P-C4' energy: -33.401
flat angles C4'-P-C4' energy: -48.547
flat angles P-C4'-P energy: -35.307
tors. eta vs tors. theta energy: -56.198
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: 7
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -525.315670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.315670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.315670 (E_RNA)
where:
Base-Base interactions energy: -317.853
where: short stacking energy: -155.628
Base-Backbone interact. energy: -1.694
local terms energy: -205.767958
where:
bonds (distance) C4'-P energy: -48.959
bonds (distance) P-C4' energy: -48.326
flat angles C4'-P-C4' energy: -51.447
flat angles P-C4'-P energy: -23.221
tors. eta vs tors. theta energy: -33.815
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: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -451.819259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.819259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.819259 (E_RNA)
where:
Base-Base interactions energy: -252.435
where: short stacking energy: -134.074
Base-Backbone interact. energy: -1.123
local terms energy: -198.260910
where:
bonds (distance) C4'-P energy: -43.529
bonds (distance) P-C4' energy: -45.917
flat angles C4'-P-C4' energy: -50.145
flat angles P-C4'-P energy: -26.162
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: 9, replica: 8
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -275.709639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.709639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.709639 (E_RNA)
where:
Base-Base interactions energy: -123.047
where: short stacking energy: -81.107
Base-Backbone interact. energy: -1.177
local terms energy: -151.485246
where:
bonds (distance) C4'-P energy: -36.667
bonds (distance) P-C4' energy: -45.901
flat angles C4'-P-C4' energy: -45.186
flat angles P-C4'-P energy: -20.607
tors. eta vs tors. theta energy: -3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -226.805032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.805032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.805032 (E_RNA)
where:
Base-Base interactions energy: -73.519
where: short stacking energy: -69.024
Base-Backbone interact. energy: -0.969
local terms energy: -152.316881
where:
bonds (distance) C4'-P energy: -51.143
bonds (distance) P-C4' energy: -30.094
flat angles C4'-P-C4' energy: -48.044
flat angles P-C4'-P energy: -23.168
tors. eta vs tors. theta energy: 0.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -934.467846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.467846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.467846 (E_RNA)
where:
Base-Base interactions energy: -636.909
where: short stacking energy: -281.082
Base-Backbone interact. energy: -1.683
local terms energy: -295.875791
where:
bonds (distance) C4'-P energy: -48.588
bonds (distance) P-C4' energy: -53.763
flat angles C4'-P-C4' energy: -65.692
flat angles P-C4'-P energy: -45.117
tors. eta vs tors. theta energy: -82.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -929.322114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.322114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.322114 (E_RNA)
where:
Base-Base interactions energy: -640.096
where: short stacking energy: -268.936
Base-Backbone interact. energy: -0.975
local terms energy: -288.250759
where:
bonds (distance) C4'-P energy: -51.561
bonds (distance) P-C4' energy: -57.263
flat angles C4'-P-C4' energy: -61.085
flat angles P-C4'-P energy: -39.349
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: 5
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -869.799647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.799647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.799647 (E_RNA)
where:
Base-Base interactions energy: -582.184
where: short stacking energy: -236.205
Base-Backbone interact. energy: -0.015
local terms energy: -287.601332
where:
bonds (distance) C4'-P energy: -53.514
bonds (distance) P-C4' energy: -54.937
flat angles C4'-P-C4' energy: -61.946
flat angles P-C4'-P energy: -48.152
tors. eta vs tors. theta energy: -69.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -795.607606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.607606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.607606 (E_RNA)
where:
Base-Base interactions energy: -545.902
where: short stacking energy: -239.852
Base-Backbone interact. energy: -0.837
local terms energy: -248.868190
where:
bonds (distance) C4'-P energy: -45.695
bonds (distance) P-C4' energy: -50.211
flat angles C4'-P-C4' energy: -53.354
flat angles P-C4'-P energy: -33.952
tors. eta vs tors. theta energy: -65.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -767.743071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.743071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.743071 (E_RNA)
where:
Base-Base interactions energy: -521.074
where: short stacking energy: -225.083
Base-Backbone interact. energy: -1.068
local terms energy: -245.601023
where:
bonds (distance) C4'-P energy: -40.843
bonds (distance) P-C4' energy: -48.486
flat angles C4'-P-C4' energy: -54.472
flat angles P-C4'-P energy: -34.238
tors. eta vs tors. theta energy: -67.562
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: 6, replica: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -735.712493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.712493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.712493 (E_RNA)
where:
Base-Base interactions energy: -484.552
where: short stacking energy: -214.927
Base-Backbone interact. energy: -1.533
local terms energy: -249.627215
where:
bonds (distance) C4'-P energy: -41.771
bonds (distance) P-C4' energy: -49.951
flat angles C4'-P-C4' energy: -51.794
flat angles P-C4'-P energy: -38.062
tors. eta vs tors. theta energy: -68.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -505.589267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.589267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.589267 (E_RNA)
where:
Base-Base interactions energy: -290.322
where: short stacking energy: -151.991
Base-Backbone interact. energy: -0.694
local terms energy: -214.572728
where:
bonds (distance) C4'-P energy: -44.624
bonds (distance) P-C4' energy: -55.736
flat angles C4'-P-C4' energy: -37.838
flat angles P-C4'-P energy: -38.709
tors. eta vs tors. theta energy: -37.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -422.494130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.494130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.494130 (E_RNA)
where:
Base-Base interactions energy: -230.824
where: short stacking energy: -140.164
Base-Backbone interact. energy: -1.147
local terms energy: -190.522568
where:
bonds (distance) C4'-P energy: -46.862
bonds (distance) P-C4' energy: -61.201
flat angles C4'-P-C4' energy: -33.480
flat angles P-C4'-P energy: -21.997
tors. eta vs tors. theta energy: -26.982
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: 378
Temperature: 1.300000
Total energy: -245.713710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.713710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.713710 (E_RNA)
where:
Base-Base interactions energy: -102.376
where: short stacking energy: -92.343
Base-Backbone interact. energy: 0.305
local terms energy: -143.642171
where:
bonds (distance) C4'-P energy: -40.391
bonds (distance) P-C4' energy: -41.777
flat angles C4'-P-C4' energy: -32.733
flat angles P-C4'-P energy: -33.483
tors. eta vs tors. theta energy: 4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -216.972225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.972225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.972225 (E_RNA)
where:
Base-Base interactions energy: -62.305
where: short stacking energy: -57.352
Base-Backbone interact. energy: -0.757
local terms energy: -153.910798
where:
bonds (distance) C4'-P energy: -46.118
bonds (distance) P-C4' energy: -50.155
flat angles C4'-P-C4' energy: -42.452
flat angles P-C4'-P energy: -18.904
tors. eta vs tors. theta energy: 3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -958.054727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.054727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.054727 (E_RNA)
where:
Base-Base interactions energy: -653.973
where: short stacking energy: -280.196
Base-Backbone interact. energy: -1.753
local terms energy: -302.328667
where:
bonds (distance) C4'-P energy: -58.141
bonds (distance) P-C4' energy: -55.545
flat angles C4'-P-C4' energy: -62.482
flat angles P-C4'-P energy: -41.373
tors. eta vs tors. theta energy: -84.787
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: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -921.455474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.455474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.455474 (E_RNA)
where:
Base-Base interactions energy: -645.144
where: short stacking energy: -277.111
Base-Backbone interact. energy: -0.875
local terms energy: -275.437076
where:
bonds (distance) C4'-P energy: -52.456
bonds (distance) P-C4' energy: -49.218
flat angles C4'-P-C4' energy: -56.851
flat angles P-C4'-P energy: -32.385
tors. eta vs tors. theta energy: -84.527
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: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -875.826001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.826001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.826001 (E_RNA)
where:
Base-Base interactions energy: -595.118
where: short stacking energy: -265.276
Base-Backbone interact. energy: -0.749
local terms energy: -279.958766
where:
bonds (distance) C4'-P energy: -56.445
bonds (distance) P-C4' energy: -53.068
flat angles C4'-P-C4' energy: -50.225
flat angles P-C4'-P energy: -43.571
tors. eta vs tors. theta energy: -76.649
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: 10
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -801.862603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.862603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.862603 (E_RNA)
where:
Base-Base interactions energy: -542.980
where: short stacking energy: -245.023
Base-Backbone interact. energy: -1.157
local terms energy: -257.725560
where:
bonds (distance) C4'-P energy: -50.036
bonds (distance) P-C4' energy: -51.260
flat angles C4'-P-C4' energy: -48.490
flat angles P-C4'-P energy: -34.822
tors. eta vs tors. theta energy: -73.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -782.708510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.708510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.708510 (E_RNA)
where:
Base-Base interactions energy: -531.020
where: short stacking energy: -235.404
Base-Backbone interact. energy: -0.260
local terms energy: -251.429027
where:
bonds (distance) C4'-P energy: -49.331
bonds (distance) P-C4' energy: -54.697
flat angles C4'-P-C4' energy: -48.063
flat angles P-C4'-P energy: -34.432
tors. eta vs tors. theta energy: -64.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -763.191150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.191150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.191150 (E_RNA)
where:
Base-Base interactions energy: -507.802
where: short stacking energy: -240.239
Base-Backbone interact. energy: -1.233
local terms energy: -254.156135
where:
bonds (distance) C4'-P energy: -41.431
bonds (distance) P-C4' energy: -51.175
flat angles C4'-P-C4' energy: -55.007
flat angles P-C4'-P energy: -33.684
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: 7, replica: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -488.405091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.405091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.405091 (E_RNA)
where:
Base-Base interactions energy: -281.894
where: short stacking energy: -125.261
Base-Backbone interact. energy: 3.393
local terms energy: -209.903723
where:
bonds (distance) C4'-P energy: -49.108
bonds (distance) P-C4' energy: -46.595
flat angles C4'-P-C4' energy: -55.394
flat angles P-C4'-P energy: -35.913
tors. eta vs tors. theta energy: -22.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -404.419745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.419745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.419745 (E_RNA)
where:
Base-Base interactions energy: -224.500
where: short stacking energy: -125.579
Base-Backbone interact. energy: -0.853
local terms energy: -179.066257
where:
bonds (distance) C4'-P energy: -48.157
bonds (distance) P-C4' energy: -43.767
flat angles C4'-P-C4' energy: -51.289
flat angles P-C4'-P energy: -25.399
tors. eta vs tors. theta energy: -10.454
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: 379
Temperature: 1.300000
Total energy: -303.386380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.386380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.386380 (E_RNA)
where:
Base-Base interactions energy: -154.360
where: short stacking energy: -80.589
Base-Backbone interact. energy: -1.604
local terms energy: -147.421585
where:
bonds (distance) C4'-P energy: -50.130
bonds (distance) P-C4' energy: -39.086
flat angles C4'-P-C4' energy: -48.616
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: 7.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -223.035663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.035663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.035663 (E_RNA)
where:
Base-Base interactions energy: -71.343
where: short stacking energy: -58.914
Base-Backbone interact. energy: -1.264
local terms energy: -150.428711
where:
bonds (distance) C4'-P energy: -45.846
bonds (distance) P-C4' energy: -42.536
flat angles C4'-P-C4' energy: -52.061
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: 6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -921.520999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.520999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.520999 (E_RNA)
where:
Base-Base interactions energy: -632.836
where: short stacking energy: -262.430
Base-Backbone interact. energy: -0.699
local terms energy: -287.986514
where:
bonds (distance) C4'-P energy: -55.626
bonds (distance) P-C4' energy: -46.711
flat angles C4'-P-C4' energy: -63.110
flat angles P-C4'-P energy: -38.529
tors. eta vs tors. theta energy: -84.011
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: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -927.395609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.395609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.395609 (E_RNA)
where:
Base-Base interactions energy: -636.446
where: short stacking energy: -269.663
Base-Backbone interact. energy: -1.470
local terms energy: -289.479612
where:
bonds (distance) C4'-P energy: -56.394
bonds (distance) P-C4' energy: -55.441
flat angles C4'-P-C4' energy: -56.989
flat angles P-C4'-P energy: -38.496
tors. eta vs tors. theta energy: -82.160
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: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -856.768453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.768453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.768453 (E_RNA)
where:
Base-Base interactions energy: -583.220
where: short stacking energy: -236.379
Base-Backbone interact. energy: -1.089
local terms energy: -272.459125
where:
bonds (distance) C4'-P energy: -53.314
bonds (distance) P-C4' energy: -54.747
flat angles C4'-P-C4' energy: -54.419
flat angles P-C4'-P energy: -39.523
tors. eta vs tors. theta energy: -70.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -796.626041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.626041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.626041 (E_RNA)
where:
Base-Base interactions energy: -542.535
where: short stacking energy: -240.313
Base-Backbone interact. energy: 0.750
local terms energy: -254.840946
where:
bonds (distance) C4'-P energy: -50.504
bonds (distance) P-C4' energy: -43.435
flat angles C4'-P-C4' energy: -49.483
flat angles P-C4'-P energy: -41.583
tors. eta vs tors. theta energy: -69.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -742.034881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.034881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.034881 (E_RNA)
where:
Base-Base interactions energy: -498.893
where: short stacking energy: -219.384
Base-Backbone interact. energy: 0.341
local terms energy: -243.483316
where:
bonds (distance) C4'-P energy: -48.628
bonds (distance) P-C4' energy: -43.086
flat angles C4'-P-C4' energy: -58.255
flat angles P-C4'-P energy: -31.980
tors. eta vs tors. theta energy: -61.535
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: 6, replica: 2
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -751.428345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.428345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.428345 (E_RNA)
where:
Base-Base interactions energy: -494.279
where: short stacking energy: -203.909
Base-Backbone interact. energy: -1.029
local terms energy: -256.121110
where:
bonds (distance) C4'-P energy: -50.204
bonds (distance) P-C4' energy: -41.522
flat angles C4'-P-C4' energy: -61.240
flat angles P-C4'-P energy: -35.300
tors. eta vs tors. theta energy: -67.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -525.420996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.420996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.420996 (E_RNA)
where:
Base-Base interactions energy: -315.747
where: short stacking energy: -171.173
Base-Backbone interact. energy: -0.881
local terms energy: -208.792792
where:
bonds (distance) C4'-P energy: -32.253
bonds (distance) P-C4' energy: -46.736
flat angles C4'-P-C4' energy: -55.171
flat angles P-C4'-P energy: -32.449
tors. eta vs tors. theta energy: -42.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -386.133052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.133052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.133052 (E_RNA)
where:
Base-Base interactions energy: -202.053
where: short stacking energy: -119.950
Base-Backbone interact. energy: -0.469
local terms energy: -183.610977
where:
bonds (distance) C4'-P energy: -50.011
bonds (distance) P-C4' energy: -52.078
flat angles C4'-P-C4' energy: -25.914
flat angles P-C4'-P energy: -27.815
tors. eta vs tors. theta energy: -27.793
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: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -244.871122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.871122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.871122 (E_RNA)
where:
Base-Base interactions energy: -88.601
where: short stacking energy: -83.106
Base-Backbone interact. energy: -0.783
local terms energy: -155.486352
where:
bonds (distance) C4'-P energy: -42.046
bonds (distance) P-C4' energy: -44.195
flat angles C4'-P-C4' energy: -43.271
flat angles P-C4'-P energy: -23.427
tors. eta vs tors. theta energy: -2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -239.150841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.150841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.150841 (E_RNA)
where:
Base-Base interactions energy: -87.513
where: short stacking energy: -73.193
Base-Backbone interact. energy: -0.838
local terms energy: -150.799478
where:
bonds (distance) C4'-P energy: -39.066
bonds (distance) P-C4' energy: -42.907
flat angles C4'-P-C4' energy: -34.930
flat angles P-C4'-P energy: -25.243
tors. eta vs tors. theta energy: -8.653
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: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -939.670669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.670669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.670669 (E_RNA)
where:
Base-Base interactions energy: -642.212
where: short stacking energy: -284.924
Base-Backbone interact. energy: -1.008
local terms energy: -296.450153
where:
bonds (distance) C4'-P energy: -59.689
bonds (distance) P-C4' energy: -52.598
flat angles C4'-P-C4' energy: -61.898
flat angles P-C4'-P energy: -38.744
tors. eta vs tors. theta energy: -83.521
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: 3
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -910.130510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.130510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.130510 (E_RNA)
where:
Base-Base interactions energy: -619.204
where: short stacking energy: -247.383
Base-Backbone interact. energy: -2.455
local terms energy: -288.471820
where:
bonds (distance) C4'-P energy: -58.012
bonds (distance) P-C4' energy: -51.874
flat angles C4'-P-C4' energy: -57.952
flat angles P-C4'-P energy: -43.799
tors. eta vs tors. theta energy: -76.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -854.723911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.723911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.723911 (E_RNA)
where:
Base-Base interactions energy: -583.198
where: short stacking energy: -243.414
Base-Backbone interact. energy: -1.066
local terms energy: -270.460330
where:
bonds (distance) C4'-P energy: -51.099
bonds (distance) P-C4' energy: -59.170
flat angles C4'-P-C4' energy: -50.062
flat angles P-C4'-P energy: -38.407
tors. eta vs tors. theta energy: -71.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -798.198784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.198784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.198784 (E_RNA)
where:
Base-Base interactions energy: -536.217
where: short stacking energy: -241.670
Base-Backbone interact. energy: -0.467
local terms energy: -261.515022
where:
bonds (distance) C4'-P energy: -57.401
bonds (distance) P-C4' energy: -45.368
flat angles C4'-P-C4' energy: -54.215
flat angles P-C4'-P energy: -36.552
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: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -706.234044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.234044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.234044 (E_RNA)
where:
Base-Base interactions energy: -469.810
where: short stacking energy: -206.175
Base-Backbone interact. energy: -0.500
local terms energy: -235.924467
where:
bonds (distance) C4'-P energy: -41.898
bonds (distance) P-C4' energy: -48.258
flat angles C4'-P-C4' energy: -49.045
flat angles P-C4'-P energy: -38.023
tors. eta vs tors. theta energy: -58.700
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: 2
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -782.067968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.067968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.067968 (E_RNA)
where:
Base-Base interactions energy: -536.245
where: short stacking energy: -236.167
Base-Backbone interact. energy: -1.646
local terms energy: -244.176249
where:
bonds (distance) C4'-P energy: -46.233
bonds (distance) P-C4' energy: -32.377
flat angles C4'-P-C4' energy: -56.040
flat angles P-C4'-P energy: -38.060
tors. eta vs tors. theta energy: -71.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -544.433992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.433992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.433992 (E_RNA)
where:
Base-Base interactions energy: -324.716
where: short stacking energy: -160.225
Base-Backbone interact. energy: -0.633
local terms energy: -219.084898
where:
bonds (distance) C4'-P energy: -42.579
bonds (distance) P-C4' energy: -46.529
flat angles C4'-P-C4' energy: -55.367
flat angles P-C4'-P energy: -29.697
tors. eta vs tors. theta energy: -44.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -396.458061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.458061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.458061 (E_RNA)
where:
Base-Base interactions energy: -209.876
where: short stacking energy: -111.867
Base-Backbone interact. energy: -0.671
local terms energy: -185.911285
where:
bonds (distance) C4'-P energy: -48.785
bonds (distance) P-C4' energy: -44.726
flat angles C4'-P-C4' energy: -51.829
flat angles P-C4'-P energy: -32.842
tors. eta vs tors. theta energy: -7.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -247.546204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.546204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.546204 (E_RNA)
where:
Base-Base interactions energy: -91.006
where: short stacking energy: -87.103
Base-Backbone interact. energy: -1.065
local terms energy: -155.474385
where:
bonds (distance) C4'-P energy: -42.688
bonds (distance) P-C4' energy: -50.634
flat angles C4'-P-C4' energy: -35.501
flat angles P-C4'-P energy: -28.760
tors. eta vs tors. theta energy: 2.109
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: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -244.529058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.529058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.529058 (E_RNA)
where:
Base-Base interactions energy: -97.821
where: short stacking energy: -78.747
Base-Backbone interact. energy: 1.838
local terms energy: -148.545818
where:
bonds (distance) C4'-P energy: -45.322
bonds (distance) P-C4' energy: -50.276
flat angles C4'-P-C4' energy: -36.954
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: 0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -933.041445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.041445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.041445 (E_RNA)
where:
Base-Base interactions energy: -662.195
where: short stacking energy: -271.109
Base-Backbone interact. energy: -1.539
local terms energy: -269.307046
where:
bonds (distance) C4'-P energy: -45.808
bonds (distance) P-C4' energy: -51.091
flat angles C4'-P-C4' energy: -55.610
flat angles P-C4'-P energy: -41.020
tors. eta vs tors. theta energy: -75.778
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: 382
Temperature: 0.950000
Total energy: -906.320795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.320795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.320795 (E_RNA)
where:
Base-Base interactions energy: -623.090
where: short stacking energy: -265.932
Base-Backbone interact. energy: -1.034
local terms energy: -282.196585
where:
bonds (distance) C4'-P energy: -47.145
bonds (distance) P-C4' energy: -51.734
flat angles C4'-P-C4' energy: -58.956
flat angles P-C4'-P energy: -41.163
tors. eta vs tors. theta energy: -83.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -858.165415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.165415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.165415 (E_RNA)
where:
Base-Base interactions energy: -597.639
where: short stacking energy: -256.125
Base-Backbone interact. energy: -0.609
local terms energy: -259.917482
where:
bonds (distance) C4'-P energy: -53.402
bonds (distance) P-C4' energy: -45.497
flat angles C4'-P-C4' energy: -48.794
flat angles P-C4'-P energy: -36.419
tors. eta vs tors. theta energy: -75.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -791.886785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.886785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.886785 (E_RNA)
where:
Base-Base interactions energy: -520.590
where: short stacking energy: -215.590
Base-Backbone interact. energy: -0.331
local terms energy: -270.965810
where:
bonds (distance) C4'-P energy: -53.404
bonds (distance) P-C4' energy: -53.693
flat angles C4'-P-C4' energy: -58.052
flat angles P-C4'-P energy: -44.186
tors. eta vs tors. theta energy: -61.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -772.264212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.264212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.264212 (E_RNA)
where:
Base-Base interactions energy: -509.829
where: short stacking energy: -232.507
Base-Backbone interact. energy: -1.937
local terms energy: -260.497628
where:
bonds (distance) C4'-P energy: -50.644
bonds (distance) P-C4' energy: -55.060
flat angles C4'-P-C4' energy: -52.464
flat angles P-C4'-P energy: -32.993
tors. eta vs tors. theta energy: -69.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -699.802013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.802013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.802013 (E_RNA)
where:
Base-Base interactions energy: -474.143
where: short stacking energy: -205.889
Base-Backbone interact. energy: -2.090
local terms energy: -223.568637
where:
bonds (distance) C4'-P energy: -55.398
bonds (distance) P-C4' energy: -36.676
flat angles C4'-P-C4' energy: -40.744
flat angles P-C4'-P energy: -35.591
tors. eta vs tors. theta energy: -55.160
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: 382
Temperature: 1.200000
Total energy: -535.894510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.894510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.894510 (E_RNA)
where:
Base-Base interactions energy: -343.265
where: short stacking energy: -195.567
Base-Backbone interact. energy: -0.590
local terms energy: -192.038961
where:
bonds (distance) C4'-P energy: -36.205
bonds (distance) P-C4' energy: -42.048
flat angles C4'-P-C4' energy: -36.850
flat angles P-C4'-P energy: -32.127
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: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -380.313250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.313250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.313250 (E_RNA)
where:
Base-Base interactions energy: -213.218
where: short stacking energy: -113.827
Base-Backbone interact. energy: -1.215
local terms energy: -165.879680
where:
bonds (distance) C4'-P energy: -47.945
bonds (distance) P-C4' energy: -39.255
flat angles C4'-P-C4' energy: -37.028
flat angles P-C4'-P energy: -30.028
tors. eta vs tors. theta energy: -11.624
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: 382
Temperature: 1.300000
Total energy: -239.597199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.597199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.597199 (E_RNA)
where:
Base-Base interactions energy: -90.331
where: short stacking energy: -75.874
Base-Backbone interact. energy: -0.722
local terms energy: -148.544116
where:
bonds (distance) C4'-P energy: -45.460
bonds (distance) P-C4' energy: -43.533
flat angles C4'-P-C4' energy: -46.911
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: 3.775
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: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -252.616966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.616966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.616966 (E_RNA)
where:
Base-Base interactions energy: -99.166
where: short stacking energy: -58.890
Base-Backbone interact. energy: 2.756
local terms energy: -156.206309
where:
bonds (distance) C4'-P energy: -50.075
bonds (distance) P-C4' energy: -43.383
flat angles C4'-P-C4' energy: -38.609
flat angles P-C4'-P energy: -30.983
tors. eta vs tors. theta energy: 6.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -947.147748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.147748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.147748 (E_RNA)
where:
Base-Base interactions energy: -665.577
where: short stacking energy: -264.980
Base-Backbone interact. energy: -0.978
local terms energy: -280.592103
where:
bonds (distance) C4'-P energy: -51.420
bonds (distance) P-C4' energy: -58.374
flat angles C4'-P-C4' energy: -53.703
flat angles P-C4'-P energy: -39.258
tors. eta vs tors. theta energy: -77.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -911.041321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.041321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.041321 (E_RNA)
where:
Base-Base interactions energy: -635.704
where: short stacking energy: -269.050
Base-Backbone interact. energy: 1.229
local terms energy: -276.566642
where:
bonds (distance) C4'-P energy: -46.291
bonds (distance) P-C4' energy: -52.891
flat angles C4'-P-C4' energy: -59.670
flat angles P-C4'-P energy: -38.400
tors. eta vs tors. theta energy: -79.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -846.515174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.515174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.515174 (E_RNA)
where:
Base-Base interactions energy: -566.364
where: short stacking energy: -240.454
Base-Backbone interact. energy: -0.926
local terms energy: -279.225369
where:
bonds (distance) C4'-P energy: -52.467
bonds (distance) P-C4' energy: -58.001
flat angles C4'-P-C4' energy: -58.207
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: -70.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -800.896783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.896783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.896783 (E_RNA)
where:
Base-Base interactions energy: -563.513
where: short stacking energy: -253.382
Base-Backbone interact. energy: -1.122
local terms energy: -236.262740
where:
bonds (distance) C4'-P energy: -36.626
bonds (distance) P-C4' energy: -36.276
flat angles C4'-P-C4' energy: -59.033
flat angles P-C4'-P energy: -35.572
tors. eta vs tors. theta energy: -68.756
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: 5, replica: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -755.977781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.977781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.977781 (E_RNA)
where:
Base-Base interactions energy: -520.550
where: short stacking energy: -223.947
Base-Backbone interact. energy: -0.439
local terms energy: -234.987908
where:
bonds (distance) C4'-P energy: -45.314
bonds (distance) P-C4' energy: -48.646
flat angles C4'-P-C4' energy: -50.912
flat angles P-C4'-P energy: -28.234
tors. eta vs tors. theta energy: -61.881
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: 6
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -736.154078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.154078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.154078 (E_RNA)
where:
Base-Base interactions energy: -489.073
where: short stacking energy: -215.850
Base-Backbone interact. energy: -1.804
local terms energy: -245.276508
where:
bonds (distance) C4'-P energy: -37.254
bonds (distance) P-C4' energy: -52.376
flat angles C4'-P-C4' energy: -50.474
flat angles P-C4'-P energy: -38.447
tors. eta vs tors. theta energy: -66.725
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: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -519.183793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.183793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.183793 (E_RNA)
where:
Base-Base interactions energy: -323.769
where: short stacking energy: -177.774
Base-Backbone interact. energy: -1.079
local terms energy: -194.335009
where:
bonds (distance) C4'-P energy: -34.105
bonds (distance) P-C4' energy: -51.613
flat angles C4'-P-C4' energy: -48.390
flat angles P-C4'-P energy: -20.192
tors. eta vs tors. theta energy: -40.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -373.479389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.479389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.479389 (E_RNA)
where:
Base-Base interactions energy: -177.054
where: short stacking energy: -112.836
Base-Backbone interact. energy: 0.843
local terms energy: -197.268242
where:
bonds (distance) C4'-P energy: -49.987
bonds (distance) P-C4' energy: -46.531
flat angles C4'-P-C4' energy: -47.537
flat angles P-C4'-P energy: -25.785
tors. eta vs tors. theta energy: -27.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -256.145196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.145196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.145196 (E_RNA)
where:
Base-Base interactions energy: -75.710
where: short stacking energy: -60.838
Base-Backbone interact. energy: -2.294
local terms energy: -178.140749
where:
bonds (distance) C4'-P energy: -49.711
bonds (distance) P-C4' energy: -49.443
flat angles C4'-P-C4' energy: -48.172
flat angles P-C4'-P energy: -34.416
tors. eta vs tors. theta energy: 3.601
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: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -229.232257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.232257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.232257 (E_RNA)
where:
Base-Base interactions energy: -82.235
where: short stacking energy: -63.814
Base-Backbone interact. energy: -0.966
local terms energy: -146.032196
where:
bonds (distance) C4'-P energy: -43.609
bonds (distance) P-C4' energy: -40.579
flat angles C4'-P-C4' energy: -46.126
flat angles P-C4'-P energy: -31.058
tors. eta vs tors. theta energy: 15.340
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: 1, replica: 3
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -942.162834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.162834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.162834 (E_RNA)
where:
Base-Base interactions energy: -655.974
where: short stacking energy: -259.639
Base-Backbone interact. energy: -1.540
local terms energy: -284.649673
where:
bonds (distance) C4'-P energy: -52.738
bonds (distance) P-C4' energy: -53.072
flat angles C4'-P-C4' energy: -61.947
flat angles P-C4'-P energy: -38.659
tors. eta vs tors. theta energy: -78.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -919.948785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.948785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.948785 (E_RNA)
where:
Base-Base interactions energy: -627.790
where: short stacking energy: -266.756
Base-Backbone interact. energy: -2.069
local terms energy: -290.089520
where:
bonds (distance) C4'-P energy: -55.018
bonds (distance) P-C4' energy: -60.339
flat angles C4'-P-C4' energy: -57.822
flat angles P-C4'-P energy: -31.377
tors. eta vs tors. theta energy: -85.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -859.048252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.048252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.048252 (E_RNA)
where:
Base-Base interactions energy: -570.167
where: short stacking energy: -232.746
Base-Backbone interact. energy: 0.137
local terms energy: -289.017739
where:
bonds (distance) C4'-P energy: -54.413
bonds (distance) P-C4' energy: -51.726
flat angles C4'-P-C4' energy: -63.263
flat angles P-C4'-P energy: -39.247
tors. eta vs tors. theta energy: -80.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -808.264354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.264354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.264354 (E_RNA)
where:
Base-Base interactions energy: -554.880
where: short stacking energy: -235.960
Base-Backbone interact. energy: 0.193
local terms energy: -253.577642
where:
bonds (distance) C4'-P energy: -43.794
bonds (distance) P-C4' energy: -47.562
flat angles C4'-P-C4' energy: -52.908
flat angles P-C4'-P energy: -45.820
tors. eta vs tors. theta energy: -63.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -746.073470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.073470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.073470 (E_RNA)
where:
Base-Base interactions energy: -502.711
where: short stacking energy: -232.821
Base-Backbone interact. energy: -2.634
local terms energy: -240.728381
where:
bonds (distance) C4'-P energy: -38.862
bonds (distance) P-C4' energy: -42.733
flat angles C4'-P-C4' energy: -58.989
flat angles P-C4'-P energy: -34.196
tors. eta vs tors. theta energy: -65.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -740.848962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.848962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.848962 (E_RNA)
where:
Base-Base interactions energy: -502.857
where: short stacking energy: -193.679
Base-Backbone interact. energy: 6.743
local terms energy: -244.734568
where:
bonds (distance) C4'-P energy: -54.836
bonds (distance) P-C4' energy: -45.234
flat angles C4'-P-C4' energy: -56.279
flat angles P-C4'-P energy: -34.932
tors. eta vs tors. theta energy: -53.454
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: 7, replica: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -514.685417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.685417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.685417 (E_RNA)
where:
Base-Base interactions energy: -303.452
where: short stacking energy: -161.113
Base-Backbone interact. energy: -2.137
local terms energy: -209.096030
where:
bonds (distance) C4'-P energy: -46.196
bonds (distance) P-C4' energy: -46.283
flat angles C4'-P-C4' energy: -48.864
flat angles P-C4'-P energy: -30.045
tors. eta vs tors. theta energy: -37.709
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: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -371.510447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.510447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.510447 (E_RNA)
where:
Base-Base interactions energy: -189.781
where: short stacking energy: -109.714
Base-Backbone interact. energy: -0.559
local terms energy: -181.170495
where:
bonds (distance) C4'-P energy: -31.641
bonds (distance) P-C4' energy: -51.635
flat angles C4'-P-C4' energy: -44.582
flat angles P-C4'-P energy: -28.566
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: 9, replica: 8
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -260.459936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.459936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.459936 (E_RNA)
where:
Base-Base interactions energy: -103.700
where: short stacking energy: -76.376
Base-Backbone interact. energy: 1.681
local terms energy: -158.440990
where:
bonds (distance) C4'-P energy: -46.894
bonds (distance) P-C4' energy: -42.198
flat angles C4'-P-C4' energy: -35.721
flat angles P-C4'-P energy: -27.433
tors. eta vs tors. theta energy: -6.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -224.137344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.137344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.137344 (E_RNA)
where:
Base-Base interactions energy: -68.483
where: short stacking energy: -64.998
Base-Backbone interact. energy: -0.502
local terms energy: -155.152334
where:
bonds (distance) C4'-P energy: -49.685
bonds (distance) P-C4' energy: -43.695
flat angles C4'-P-C4' energy: -44.519
flat angles P-C4'-P energy: -19.634
tors. eta vs tors. theta energy: 2.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -951.278290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.278290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.278290 (E_RNA)
where:
Base-Base interactions energy: -676.324
where: short stacking energy: -272.533
Base-Backbone interact. energy: -0.638
local terms energy: -274.316360
where:
bonds (distance) C4'-P energy: -56.011
bonds (distance) P-C4' energy: -48.528
flat angles C4'-P-C4' energy: -55.151
flat angles P-C4'-P energy: -33.801
tors. eta vs tors. theta energy: -80.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -905.577888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.577888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.577888 (E_RNA)
where:
Base-Base interactions energy: -620.947
where: short stacking energy: -266.542
Base-Backbone interact. energy: -0.954
local terms energy: -283.676890
where:
bonds (distance) C4'-P energy: -58.299
bonds (distance) P-C4' energy: -46.429
flat angles C4'-P-C4' energy: -57.514
flat angles P-C4'-P energy: -39.269
tors. eta vs tors. theta energy: -82.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -883.010835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.010835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.010835 (E_RNA)
where:
Base-Base interactions energy: -593.082
where: short stacking energy: -254.644
Base-Backbone interact. energy: -0.470
local terms energy: -289.458018
where:
bonds (distance) C4'-P energy: -54.119
bonds (distance) P-C4' energy: -53.471
flat angles C4'-P-C4' energy: -62.003
flat angles P-C4'-P energy: -43.013
tors. eta vs tors. theta energy: -76.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -803.912518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.912518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.912518 (E_RNA)
where:
Base-Base interactions energy: -560.124
where: short stacking energy: -251.191
Base-Backbone interact. energy: -0.765
local terms energy: -243.023434
where:
bonds (distance) C4'-P energy: -51.120
bonds (distance) P-C4' energy: -37.765
flat angles C4'-P-C4' energy: -62.723
flat angles P-C4'-P energy: -26.842
tors. eta vs tors. theta energy: -64.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -783.998541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.998541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.998541 (E_RNA)
where:
Base-Base interactions energy: -529.866
where: short stacking energy: -221.488
Base-Backbone interact. energy: -0.339
local terms energy: -253.792807
where:
bonds (distance) C4'-P energy: -50.334
bonds (distance) P-C4' energy: -45.846
flat angles C4'-P-C4' energy: -50.210
flat angles P-C4'-P energy: -40.471
tors. eta vs tors. theta energy: -66.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -737.515700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.515700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.515700 (E_RNA)
where:
Base-Base interactions energy: -486.039
where: short stacking energy: -218.538
Base-Backbone interact. energy: 0.039
local terms energy: -251.515769
where:
bonds (distance) C4'-P energy: -48.312
bonds (distance) P-C4' energy: -50.324
flat angles C4'-P-C4' energy: -52.132
flat angles P-C4'-P energy: -36.553
tors. eta vs tors. theta energy: -64.194
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: 385
Temperature: 1.200000
Total energy: -481.721212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.721212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.721212 (E_RNA)
where:
Base-Base interactions energy: -281.594
where: short stacking energy: -138.671
Base-Backbone interact. energy: -0.342
local terms energy: -199.786006
where:
bonds (distance) C4'-P energy: -44.833
bonds (distance) P-C4' energy: -45.417
flat angles C4'-P-C4' energy: -53.158
flat angles P-C4'-P energy: -26.878
tors. eta vs tors. theta energy: -29.501
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: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -387.463351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.463351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.463351 (E_RNA)
where:
Base-Base interactions energy: -206.922
where: short stacking energy: -113.186
Base-Backbone interact. energy: -0.200
local terms energy: -180.341352
where:
bonds (distance) C4'-P energy: -41.062
bonds (distance) P-C4' energy: -49.988
flat angles C4'-P-C4' energy: -45.352
flat angles P-C4'-P energy: -22.671
tors. eta vs tors. theta energy: -21.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -250.161684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.161684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.161684 (E_RNA)
where:
Base-Base interactions energy: -103.768
where: short stacking energy: -77.803
Base-Backbone interact. energy: 4.533
local terms energy: -150.926550
where:
bonds (distance) C4'-P energy: -38.408
bonds (distance) P-C4' energy: -46.904
flat angles C4'-P-C4' energy: -38.488
flat angles P-C4'-P energy: -25.117
tors. eta vs tors. theta energy: -2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -227.703073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.703073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.703073 (E_RNA)
where:
Base-Base interactions energy: -89.827
where: short stacking energy: -79.817
Base-Backbone interact. energy: 0.720
local terms energy: -138.595160
where:
bonds (distance) C4'-P energy: -41.959
bonds (distance) P-C4' energy: -42.998
flat angles C4'-P-C4' energy: -36.935
flat angles P-C4'-P energy: -20.869
tors. eta vs tors. theta energy: 4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -941.755474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.755474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.755474 (E_RNA)
where:
Base-Base interactions energy: -666.302
where: short stacking energy: -265.343
Base-Backbone interact. energy: -1.297
local terms energy: -274.156245
where:
bonds (distance) C4'-P energy: -48.265
bonds (distance) P-C4' energy: -51.736
flat angles C4'-P-C4' energy: -57.710
flat angles P-C4'-P energy: -41.575
tors. eta vs tors. theta energy: -74.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -890.110214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.110214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.110214 (E_RNA)
where:
Base-Base interactions energy: -620.083
where: short stacking energy: -252.179
Base-Backbone interact. energy: -1.361
local terms energy: -268.665784
where:
bonds (distance) C4'-P energy: -50.654
bonds (distance) P-C4' energy: -48.747
flat angles C4'-P-C4' energy: -54.161
flat angles P-C4'-P energy: -42.133
tors. eta vs tors. theta energy: -72.972
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: 3, replica: 5
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -871.202604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.202604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.202604 (E_RNA)
where:
Base-Base interactions energy: -604.278
where: short stacking energy: -265.077
Base-Backbone interact. energy: -0.552
local terms energy: -266.371970
where:
bonds (distance) C4'-P energy: -41.302
bonds (distance) P-C4' energy: -55.303
flat angles C4'-P-C4' energy: -60.536
flat angles P-C4'-P energy: -30.845
tors. eta vs tors. theta energy: -78.387
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: 386
Temperature: 1.050000
Total energy: -824.388043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.388043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.388043 (E_RNA)
where:
Base-Base interactions energy: -556.372
where: short stacking energy: -243.087
Base-Backbone interact. energy: -0.474
local terms energy: -267.542813
where:
bonds (distance) C4'-P energy: -55.565
bonds (distance) P-C4' energy: -51.282
flat angles C4'-P-C4' energy: -59.197
flat angles P-C4'-P energy: -33.225
tors. eta vs tors. theta energy: -68.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -810.978608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.978608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.978608 (E_RNA)
where:
Base-Base interactions energy: -552.379
where: short stacking energy: -223.034
Base-Backbone interact. energy: -2.434
local terms energy: -256.165384
where:
bonds (distance) C4'-P energy: -55.030
bonds (distance) P-C4' energy: -44.992
flat angles C4'-P-C4' energy: -48.405
flat angles P-C4'-P energy: -38.783
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: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -775.019087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.019087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.019087 (E_RNA)
where:
Base-Base interactions energy: -521.569
where: short stacking energy: -227.797
Base-Backbone interact. energy: 5.218
local terms energy: -258.668548
where:
bonds (distance) C4'-P energy: -47.574
bonds (distance) P-C4' energy: -52.753
flat angles C4'-P-C4' energy: -48.034
flat angles P-C4'-P energy: -35.447
tors. eta vs tors. theta energy: -74.860
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: 4
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -417.926757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.926757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.926757 (E_RNA)
where:
Base-Base interactions energy: -225.154
where: short stacking energy: -129.338
Base-Backbone interact. energy: 5.611
local terms energy: -198.383192
where:
bonds (distance) C4'-P energy: -52.885
bonds (distance) P-C4' energy: -48.739
flat angles C4'-P-C4' energy: -47.138
flat angles P-C4'-P energy: -29.521
tors. eta vs tors. theta energy: -20.101
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: 386
Temperature: 1.250000
Total energy: -456.370445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.370445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.370445 (E_RNA)
where:
Base-Base interactions energy: -256.755
where: short stacking energy: -142.187
Base-Backbone interact. energy: -0.227
local terms energy: -199.388383
where:
bonds (distance) C4'-P energy: -40.942
bonds (distance) P-C4' energy: -48.333
flat angles C4'-P-C4' energy: -42.994
flat angles P-C4'-P energy: -39.073
tors. eta vs tors. theta energy: -28.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -259.114673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.114673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.114673 (E_RNA)
where:
Base-Base interactions energy: -97.377
where: short stacking energy: -84.624
Base-Backbone interact. energy: 0.812
local terms energy: -162.550279
where:
bonds (distance) C4'-P energy: -51.410
bonds (distance) P-C4' energy: -42.008
flat angles C4'-P-C4' energy: -38.766
flat angles P-C4'-P energy: -28.607
tors. eta vs tors. theta energy: -1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -231.094473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.094473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.094473 (E_RNA)
where:
Base-Base interactions energy: -87.537
where: short stacking energy: -81.986
Base-Backbone interact. energy: -0.998
local terms energy: -142.559771
where:
bonds (distance) C4'-P energy: -42.489
bonds (distance) P-C4' energy: -49.103
flat angles C4'-P-C4' energy: -33.735
flat angles P-C4'-P energy: -25.533
tors. eta vs tors. theta energy: 8.302
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: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -937.889369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.889369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.889369 (E_RNA)
where:
Base-Base interactions energy: -652.667
where: short stacking energy: -258.596
Base-Backbone interact. energy: -0.757
local terms energy: -284.465793
where:
bonds (distance) C4'-P energy: -56.392
bonds (distance) P-C4' energy: -48.774
flat angles C4'-P-C4' energy: -61.640
flat angles P-C4'-P energy: -44.958
tors. eta vs tors. theta energy: -72.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -901.856437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.856437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.856437 (E_RNA)
where:
Base-Base interactions energy: -635.367
where: short stacking energy: -254.556
Base-Backbone interact. energy: -0.090
local terms energy: -266.399071
where:
bonds (distance) C4'-P energy: -51.345
bonds (distance) P-C4' energy: -48.515
flat angles C4'-P-C4' energy: -64.504
flat angles P-C4'-P energy: -31.124
tors. eta vs tors. theta energy: -70.912
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: 387
Temperature: 1.000000
Total energy: -855.301135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.301135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.301135 (E_RNA)
where:
Base-Base interactions energy: -596.056
where: short stacking energy: -240.839
Base-Backbone interact. energy: -1.460
local terms energy: -257.784739
where:
bonds (distance) C4'-P energy: -36.199
bonds (distance) P-C4' energy: -53.962
flat angles C4'-P-C4' energy: -58.655
flat angles P-C4'-P energy: -33.885
tors. eta vs tors. theta energy: -75.083
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: 387
Temperature: 1.050000
Total energy: -810.637420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.637420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.637420 (E_RNA)
where:
Base-Base interactions energy: -553.489
where: short stacking energy: -244.870
Base-Backbone interact. energy: -1.421
local terms energy: -255.727339
where:
bonds (distance) C4'-P energy: -51.175
bonds (distance) P-C4' energy: -44.854
flat angles C4'-P-C4' energy: -54.067
flat angles P-C4'-P energy: -36.527
tors. eta vs tors. theta energy: -69.104
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: 6
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -762.254692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.254692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.254692 (E_RNA)
where:
Base-Base interactions energy: -512.682
where: short stacking energy: -210.553
Base-Backbone interact. energy: -1.265
local terms energy: -248.307916
where:
bonds (distance) C4'-P energy: -44.626
bonds (distance) P-C4' energy: -44.530
flat angles C4'-P-C4' energy: -54.692
flat angles P-C4'-P energy: -45.217
tors. eta vs tors. theta energy: -59.242
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: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -773.851329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.851329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.851329 (E_RNA)
where:
Base-Base interactions energy: -535.995
where: short stacking energy: -234.996
Base-Backbone interact. energy: -1.302
local terms energy: -236.554358
where:
bonds (distance) C4'-P energy: -45.154
bonds (distance) P-C4' energy: -51.015
flat angles C4'-P-C4' energy: -53.686
flat angles P-C4'-P energy: -18.292
tors. eta vs tors. theta energy: -68.407
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: 4
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -424.548963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.548963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.548963 (E_RNA)
where:
Base-Base interactions energy: -233.940
where: short stacking energy: -138.627
Base-Backbone interact. energy: -0.483
local terms energy: -190.126557
where:
bonds (distance) C4'-P energy: -40.826
bonds (distance) P-C4' energy: -48.112
flat angles C4'-P-C4' energy: -50.064
flat angles P-C4'-P energy: -31.550
tors. eta vs tors. theta energy: -19.574
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: 8, replica: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -482.595922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.595922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.595922 (E_RNA)
where:
Base-Base interactions energy: -285.251
where: short stacking energy: -132.913
Base-Backbone interact. energy: -1.991
local terms energy: -195.353314
where:
bonds (distance) C4'-P energy: -50.774
bonds (distance) P-C4' energy: -48.212
flat angles C4'-P-C4' energy: -43.965
flat angles P-C4'-P energy: -27.372
tors. eta vs tors. theta energy: -25.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -237.126258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.126258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.126258 (E_RNA)
where:
Base-Base interactions energy: -91.613
where: short stacking energy: -74.153
Base-Backbone interact. energy: -2.058
local terms energy: -143.455159
where:
bonds (distance) C4'-P energy: -42.857
bonds (distance) P-C4' energy: -44.824
flat angles C4'-P-C4' energy: -43.012
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: 0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -231.901871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.901871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.901871 (E_RNA)
where:
Base-Base interactions energy: -79.151
where: short stacking energy: -69.378
Base-Backbone interact. energy: -0.961
local terms energy: -151.789798
where:
bonds (distance) C4'-P energy: -39.625
bonds (distance) P-C4' energy: -54.263
flat angles C4'-P-C4' energy: -31.052
flat angles P-C4'-P energy: -24.629
tors. eta vs tors. theta energy: -2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -935.067730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.067730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.067730 (E_RNA)
where:
Base-Base interactions energy: -642.280
where: short stacking energy: -261.624
Base-Backbone interact. energy: -1.447
local terms energy: -291.341623
where:
bonds (distance) C4'-P energy: -45.945
bonds (distance) P-C4' energy: -57.704
flat angles C4'-P-C4' energy: -62.765
flat angles P-C4'-P energy: -43.303
tors. eta vs tors. theta energy: -81.624
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: 388
Temperature: 0.950000
Total energy: -888.837188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.837188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.837188 (E_RNA)
where:
Base-Base interactions energy: -616.943
where: short stacking energy: -250.692
Base-Backbone interact. energy: -1.002
local terms energy: -270.892387
where:
bonds (distance) C4'-P energy: -49.420
bonds (distance) P-C4' energy: -54.522
flat angles C4'-P-C4' energy: -56.453
flat angles P-C4'-P energy: -37.345
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: 3, replica: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -864.119202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.119202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.119202 (E_RNA)
where:
Base-Base interactions energy: -588.132
where: short stacking energy: -245.962
Base-Backbone interact. energy: -1.252
local terms energy: -274.735903
where:
bonds (distance) C4'-P energy: -50.332
bonds (distance) P-C4' energy: -51.690
flat angles C4'-P-C4' energy: -58.692
flat angles P-C4'-P energy: -38.487
tors. eta vs tors. theta energy: -75.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -821.116393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.116393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.116393 (E_RNA)
where:
Base-Base interactions energy: -555.902
where: short stacking energy: -236.916
Base-Backbone interact. energy: -2.292
local terms energy: -262.922866
where:
bonds (distance) C4'-P energy: -53.783
bonds (distance) P-C4' energy: -51.683
flat angles C4'-P-C4' energy: -56.149
flat angles P-C4'-P energy: -40.922
tors. eta vs tors. theta energy: -60.386
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: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -762.298902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.298902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.298902 (E_RNA)
where:
Base-Base interactions energy: -516.804
where: short stacking energy: -217.199
Base-Backbone interact. energy: -0.699
local terms energy: -244.796036
where:
bonds (distance) C4'-P energy: -46.023
bonds (distance) P-C4' energy: -44.590
flat angles C4'-P-C4' energy: -60.016
flat angles P-C4'-P energy: -27.256
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: 2
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -748.070186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.070186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.070186 (E_RNA)
where:
Base-Base interactions energy: -495.147
where: short stacking energy: -217.386
Base-Backbone interact. energy: 0.937
local terms energy: -253.860218
where:
bonds (distance) C4'-P energy: -42.356
bonds (distance) P-C4' energy: -52.464
flat angles C4'-P-C4' energy: -53.796
flat angles P-C4'-P energy: -34.169
tors. eta vs tors. theta energy: -71.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -511.101936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.101936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.101936 (E_RNA)
where:
Base-Base interactions energy: -308.239
where: short stacking energy: -163.442
Base-Backbone interact. energy: -0.196
local terms energy: -202.667480
where:
bonds (distance) C4'-P energy: -36.983
bonds (distance) P-C4' energy: -49.251
flat angles C4'-P-C4' energy: -45.309
flat angles P-C4'-P energy: -32.972
tors. eta vs tors. theta energy: -38.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -426.153150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.153150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.153150 (E_RNA)
where:
Base-Base interactions energy: -237.619
where: short stacking energy: -133.791
Base-Backbone interact. energy: -0.123
local terms energy: -188.411920
where:
bonds (distance) C4'-P energy: -49.411
bonds (distance) P-C4' energy: -51.975
flat angles C4'-P-C4' energy: -47.867
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -26.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -319.211981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.211981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.211981 (E_RNA)
where:
Base-Base interactions energy: -156.791
where: short stacking energy: -83.290
Base-Backbone interact. energy: -1.091
local terms energy: -161.330096
where:
bonds (distance) C4'-P energy: -38.462
bonds (distance) P-C4' energy: -50.747
flat angles C4'-P-C4' energy: -27.794
flat angles P-C4'-P energy: -32.739
tors. eta vs tors. theta energy: -11.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -244.799167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.799167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.799167 (E_RNA)
where:
Base-Base interactions energy: -88.697
where: short stacking energy: -53.625
Base-Backbone interact. energy: -0.979
local terms energy: -155.122800
where:
bonds (distance) C4'-P energy: -48.587
bonds (distance) P-C4' energy: -45.598
flat angles C4'-P-C4' energy: -46.464
flat angles P-C4'-P energy: -21.557
tors. eta vs tors. theta energy: 7.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -940.192075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.192075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.192075 (E_RNA)
where:
Base-Base interactions energy: -650.635
where: short stacking energy: -262.570
Base-Backbone interact. energy: 0.277
local terms energy: -289.834627
where:
bonds (distance) C4'-P energy: -58.750
bonds (distance) P-C4' energy: -47.659
flat angles C4'-P-C4' energy: -60.340
flat angles P-C4'-P energy: -43.241
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: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -874.333907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.333907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.333907 (E_RNA)
where:
Base-Base interactions energy: -612.409
where: short stacking energy: -249.886
Base-Backbone interact. energy: 1.843
local terms energy: -263.768210
where:
bonds (distance) C4'-P energy: -51.283
bonds (distance) P-C4' energy: -40.122
flat angles C4'-P-C4' energy: -58.111
flat angles P-C4'-P energy: -41.015
tors. eta vs tors. theta energy: -73.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -867.943396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.943396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.943396 (E_RNA)
where:
Base-Base interactions energy: -583.632
where: short stacking energy: -222.245
Base-Backbone interact. energy: -0.141
local terms energy: -284.170322
where:
bonds (distance) C4'-P energy: -62.433
bonds (distance) P-C4' energy: -44.239
flat angles C4'-P-C4' energy: -59.315
flat angles P-C4'-P energy: -43.564
tors. eta vs tors. theta energy: -74.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -840.926846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.926846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.926846 (E_RNA)
where:
Base-Base interactions energy: -565.379
where: short stacking energy: -252.449
Base-Backbone interact. energy: -0.121
local terms energy: -275.426950
where:
bonds (distance) C4'-P energy: -48.019
bonds (distance) P-C4' energy: -57.132
flat angles C4'-P-C4' energy: -60.164
flat angles P-C4'-P energy: -41.224
tors. eta vs tors. theta energy: -68.888
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: 389
Temperature: 1.100000
Total energy: -764.028629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.028629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.028629 (E_RNA)
where:
Base-Base interactions energy: -515.996
where: short stacking energy: -241.210
Base-Backbone interact. energy: -0.766
local terms energy: -247.267224
where:
bonds (distance) C4'-P energy: -38.728
bonds (distance) P-C4' energy: -46.457
flat angles C4'-P-C4' energy: -55.882
flat angles P-C4'-P energy: -33.266
tors. eta vs tors. theta energy: -72.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -727.337796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.337796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.337796 (E_RNA)
where:
Base-Base interactions energy: -489.146
where: short stacking energy: -222.135
Base-Backbone interact. energy: -1.122
local terms energy: -237.069728
where:
bonds (distance) C4'-P energy: -42.138
bonds (distance) P-C4' energy: -46.163
flat angles C4'-P-C4' energy: -48.834
flat angles P-C4'-P energy: -30.350
tors. eta vs tors. theta energy: -69.585
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: 7
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -512.689812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.689812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.689812 (E_RNA)
where:
Base-Base interactions energy: -317.901
where: short stacking energy: -146.222
Base-Backbone interact. energy: -2.101
local terms energy: -192.687903
where:
bonds (distance) C4'-P energy: -46.392
bonds (distance) P-C4' energy: -39.624
flat angles C4'-P-C4' energy: -49.355
flat angles P-C4'-P energy: -28.578
tors. eta vs tors. theta energy: -28.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -407.891253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.891253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.891253 (E_RNA)
where:
Base-Base interactions energy: -220.464
where: short stacking energy: -116.911
Base-Backbone interact. energy: -2.236
local terms energy: -185.191205
where:
bonds (distance) C4'-P energy: -46.757
bonds (distance) P-C4' energy: -47.314
flat angles C4'-P-C4' energy: -36.796
flat angles P-C4'-P energy: -34.431
tors. eta vs tors. theta energy: -19.893
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: 389
Temperature: 1.300000
Total energy: -288.869244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.869244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.869244 (E_RNA)
where:
Base-Base interactions energy: -146.186
where: short stacking energy: -73.862
Base-Backbone interact. energy: -1.891
local terms energy: -140.792069
where:
bonds (distance) C4'-P energy: -46.086
bonds (distance) P-C4' energy: -48.029
flat angles C4'-P-C4' energy: -35.615
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: 3.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -230.414119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.414119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.414119 (E_RNA)
where:
Base-Base interactions energy: -74.173
where: short stacking energy: -66.879
Base-Backbone interact. energy: -2.071
local terms energy: -154.170742
where:
bonds (distance) C4'-P energy: -42.133
bonds (distance) P-C4' energy: -52.446
flat angles C4'-P-C4' energy: -35.591
flat angles P-C4'-P energy: -26.512
tors. eta vs tors. theta energy: 2.512
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: 1, replica: 3
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -921.317103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.317103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.317103 (E_RNA)
where:
Base-Base interactions energy: -645.662
where: short stacking energy: -264.057
Base-Backbone interact. energy: -1.482
local terms energy: -274.173352
where:
bonds (distance) C4'-P energy: -55.422
bonds (distance) P-C4' energy: -45.172
flat angles C4'-P-C4' energy: -61.761
flat angles P-C4'-P energy: -37.337
tors. eta vs tors. theta energy: -74.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -882.529896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.529896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.529896 (E_RNA)
where:
Base-Base interactions energy: -595.494
where: short stacking energy: -261.606
Base-Backbone interact. energy: -0.991
local terms energy: -286.045016
where:
bonds (distance) C4'-P energy: -50.983
bonds (distance) P-C4' energy: -49.208
flat angles C4'-P-C4' energy: -62.999
flat angles P-C4'-P energy: -44.433
tors. eta vs tors. theta energy: -78.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -869.721804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.721804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.721804 (E_RNA)
where:
Base-Base interactions energy: -604.127
where: short stacking energy: -250.233
Base-Backbone interact. energy: -0.835
local terms energy: -264.760072
where:
bonds (distance) C4'-P energy: -45.172
bonds (distance) P-C4' energy: -50.483
flat angles C4'-P-C4' energy: -53.235
flat angles P-C4'-P energy: -38.083
tors. eta vs tors. theta energy: -77.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -823.304974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.304974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.304974 (E_RNA)
where:
Base-Base interactions energy: -555.396
where: short stacking energy: -248.479
Base-Backbone interact. energy: -0.820
local terms energy: -267.088701
where:
bonds (distance) C4'-P energy: -51.461
bonds (distance) P-C4' energy: -48.609
flat angles C4'-P-C4' energy: -57.134
flat angles P-C4'-P energy: -41.513
tors. eta vs tors. theta energy: -68.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -723.397077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.397077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.397077 (E_RNA)
where:
Base-Base interactions energy: -474.976
where: short stacking energy: -211.799
Base-Backbone interact. energy: -1.194
local terms energy: -247.227751
where:
bonds (distance) C4'-P energy: -53.028
bonds (distance) P-C4' energy: -42.329
flat angles C4'-P-C4' energy: -55.166
flat angles P-C4'-P energy: -39.138
tors. eta vs tors. theta energy: -57.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -724.116260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.116260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.116260 (E_RNA)
where:
Base-Base interactions energy: -488.914
where: short stacking energy: -212.487
Base-Backbone interact. energy: -0.371
local terms energy: -234.831533
where:
bonds (distance) C4'-P energy: -47.431
bonds (distance) P-C4' energy: -50.388
flat angles C4'-P-C4' energy: -50.370
flat angles P-C4'-P energy: -29.093
tors. eta vs tors. theta energy: -57.549
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: 7
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -495.865982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.865982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.865982 (E_RNA)
where:
Base-Base interactions energy: -294.392
where: short stacking energy: -147.656
Base-Backbone interact. energy: -1.607
local terms energy: -199.867507
where:
bonds (distance) C4'-P energy: -43.096
bonds (distance) P-C4' energy: -48.765
flat angles C4'-P-C4' energy: -50.372
flat angles P-C4'-P energy: -27.063
tors. eta vs tors. theta energy: -30.571
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: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -390.797530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.797530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.797530 (E_RNA)
where:
Base-Base interactions energy: -205.604
where: short stacking energy: -118.131
Base-Backbone interact. energy: -1.950
local terms energy: -183.243383
where:
bonds (distance) C4'-P energy: -41.975
bonds (distance) P-C4' energy: -53.362
flat angles C4'-P-C4' energy: -49.144
flat angles P-C4'-P energy: -26.316
tors. eta vs tors. theta energy: -12.446
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: 390
Temperature: 1.300000
Total energy: -230.030977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.030977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.030977 (E_RNA)
where:
Base-Base interactions energy: -80.278
where: short stacking energy: -59.207
Base-Backbone interact. energy: 0.670
local terms energy: -150.422532
where:
bonds (distance) C4'-P energy: -53.425
bonds (distance) P-C4' energy: -45.906
flat angles C4'-P-C4' energy: -52.480
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: 6.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -223.798919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.798919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.798919 (E_RNA)
where:
Base-Base interactions energy: -78.185
where: short stacking energy: -60.409
Base-Backbone interact. energy: -2.349
local terms energy: -143.264687
where:
bonds (distance) C4'-P energy: -43.502
bonds (distance) P-C4' energy: -41.119
flat angles C4'-P-C4' energy: -48.010
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: 11.560
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: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -925.180548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.180548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.180548 (E_RNA)
where:
Base-Base interactions energy: -644.523
where: short stacking energy: -268.940
Base-Backbone interact. energy: -0.707
local terms energy: -279.951055
where:
bonds (distance) C4'-P energy: -54.697
bonds (distance) P-C4' energy: -47.586
flat angles C4'-P-C4' energy: -55.090
flat angles P-C4'-P energy: -47.533
tors. eta vs tors. theta energy: -75.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -903.531424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.531424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.531424 (E_RNA)
where:
Base-Base interactions energy: -616.018
where: short stacking energy: -251.926
Base-Backbone interact. energy: -1.864
local terms energy: -285.649364
where:
bonds (distance) C4'-P energy: -59.298
bonds (distance) P-C4' energy: -47.185
flat angles C4'-P-C4' energy: -59.879
flat angles P-C4'-P energy: -38.615
tors. eta vs tors. theta energy: -80.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -857.597512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.597512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.597512 (E_RNA)
where:
Base-Base interactions energy: -596.033
where: short stacking energy: -250.031
Base-Backbone interact. energy: 0.572
local terms energy: -262.137135
where:
bonds (distance) C4'-P energy: -47.301
bonds (distance) P-C4' energy: -47.898
flat angles C4'-P-C4' energy: -52.743
flat angles P-C4'-P energy: -39.610
tors. eta vs tors. theta energy: -74.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -802.641333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.641333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.641333 (E_RNA)
where:
Base-Base interactions energy: -554.976
where: short stacking energy: -240.359
Base-Backbone interact. energy: -0.536
local terms energy: -247.129562
where:
bonds (distance) C4'-P energy: -39.053
bonds (distance) P-C4' energy: -51.636
flat angles C4'-P-C4' energy: -54.123
flat angles P-C4'-P energy: -34.348
tors. eta vs tors. theta energy: -67.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -757.526052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.526052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.526052 (E_RNA)
where:
Base-Base interactions energy: -512.541
where: short stacking energy: -232.899
Base-Backbone interact. energy: -1.264
local terms energy: -243.721012
where:
bonds (distance) C4'-P energy: -49.740
bonds (distance) P-C4' energy: -46.650
flat angles C4'-P-C4' energy: -54.963
flat angles P-C4'-P energy: -29.172
tors. eta vs tors. theta energy: -63.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -734.350068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.350068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.350068 (E_RNA)
where:
Base-Base interactions energy: -499.199
where: short stacking energy: -221.539
Base-Backbone interact. energy: -2.636
local terms energy: -232.515926
where:
bonds (distance) C4'-P energy: -43.464
bonds (distance) P-C4' energy: -47.671
flat angles C4'-P-C4' energy: -47.606
flat angles P-C4'-P energy: -32.574
tors. eta vs tors. theta energy: -61.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -515.834784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.834784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.834784 (E_RNA)
where:
Base-Base interactions energy: -326.597
where: short stacking energy: -146.170
Base-Backbone interact. energy: 0.889
local terms energy: -190.126194
where:
bonds (distance) C4'-P energy: -33.131
bonds (distance) P-C4' energy: -48.978
flat angles C4'-P-C4' energy: -47.358
flat angles P-C4'-P energy: -31.838
tors. eta vs tors. theta energy: -28.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -383.074442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.074442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.074442 (E_RNA)
where:
Base-Base interactions energy: -193.361
where: short stacking energy: -126.613
Base-Backbone interact. energy: 0.528
local terms energy: -190.241435
where:
bonds (distance) C4'-P energy: -40.833
bonds (distance) P-C4' energy: -44.649
flat angles C4'-P-C4' energy: -42.691
flat angles P-C4'-P energy: -35.762
tors. eta vs tors. theta energy: -26.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -248.173625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.173625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.173625 (E_RNA)
where:
Base-Base interactions energy: -97.003
where: short stacking energy: -90.305
Base-Backbone interact. energy: -0.773
local terms energy: -150.397338
where:
bonds (distance) C4'-P energy: -46.062
bonds (distance) P-C4' energy: -44.383
flat angles C4'-P-C4' energy: -41.759
flat angles P-C4'-P energy: -19.367
tors. eta vs tors. theta energy: 1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -252.190118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.190118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.190118 (E_RNA)
where:
Base-Base interactions energy: -101.504
where: short stacking energy: -94.761
Base-Backbone interact. energy: 1.239
local terms energy: -151.924813
where:
bonds (distance) C4'-P energy: -47.865
bonds (distance) P-C4' energy: -41.433
flat angles C4'-P-C4' energy: -40.547
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -6.320
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: 392
Temperature: 0.900000
Total energy: -926.883822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.883822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.883822 (E_RNA)
where:
Base-Base interactions energy: -645.769
where: short stacking energy: -260.872
Base-Backbone interact. energy: -1.455
local terms energy: -279.659390
where:
bonds (distance) C4'-P energy: -52.018
bonds (distance) P-C4' energy: -58.034
flat angles C4'-P-C4' energy: -58.267
flat angles P-C4'-P energy: -36.716
tors. eta vs tors. theta energy: -74.624
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: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -912.337000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.337000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.337000 (E_RNA)
where:
Base-Base interactions energy: -646.863
where: short stacking energy: -261.503
Base-Backbone interact. energy: -1.233
local terms energy: -264.241027
where:
bonds (distance) C4'-P energy: -50.755
bonds (distance) P-C4' energy: -53.656
flat angles C4'-P-C4' energy: -48.843
flat angles P-C4'-P energy: -35.158
tors. eta vs tors. theta energy: -75.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -830.313362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.313362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.313362 (E_RNA)
where:
Base-Base interactions energy: -577.011
where: short stacking energy: -250.926
Base-Backbone interact. energy: 1.776
local terms energy: -255.078251
where:
bonds (distance) C4'-P energy: -48.520
bonds (distance) P-C4' energy: -54.439
flat angles C4'-P-C4' energy: -50.743
flat angles P-C4'-P energy: -40.563
tors. eta vs tors. theta energy: -60.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -842.071308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.071308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.071308 (E_RNA)
where:
Base-Base interactions energy: -569.954
where: short stacking energy: -238.535
Base-Backbone interact. energy: 2.902
local terms energy: -275.019269
where:
bonds (distance) C4'-P energy: -51.155
bonds (distance) P-C4' energy: -48.873
flat angles C4'-P-C4' energy: -61.987
flat angles P-C4'-P energy: -44.022
tors. eta vs tors. theta energy: -68.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -768.771840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.771840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.771840 (E_RNA)
where:
Base-Base interactions energy: -513.305
where: short stacking energy: -236.210
Base-Backbone interact. energy: -0.893
local terms energy: -254.573961
where:
bonds (distance) C4'-P energy: -49.479
bonds (distance) P-C4' energy: -41.520
flat angles C4'-P-C4' energy: -54.704
flat angles P-C4'-P energy: -32.847
tors. eta vs tors. theta energy: -76.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -748.318751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.318751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.318751 (E_RNA)
where:
Base-Base interactions energy: -497.025
where: short stacking energy: -226.802
Base-Backbone interact. energy: -0.890
local terms energy: -250.403489
where:
bonds (distance) C4'-P energy: -48.453
bonds (distance) P-C4' energy: -52.143
flat angles C4'-P-C4' energy: -58.708
flat angles P-C4'-P energy: -23.757
tors. eta vs tors. theta energy: -67.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -497.547841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.547841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.547841 (E_RNA)
where:
Base-Base interactions energy: -294.202
where: short stacking energy: -150.986
Base-Backbone interact. energy: 1.287
local terms energy: -204.633531
where:
bonds (distance) C4'-P energy: -52.405
bonds (distance) P-C4' energy: -49.525
flat angles C4'-P-C4' energy: -40.334
flat angles P-C4'-P energy: -31.239
tors. eta vs tors. theta energy: -31.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -370.007004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.007004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.007004 (E_RNA)
where:
Base-Base interactions energy: -192.425
where: short stacking energy: -123.096
Base-Backbone interact. energy: -0.915
local terms energy: -176.667292
where:
bonds (distance) C4'-P energy: -37.401
bonds (distance) P-C4' energy: -36.503
flat angles C4'-P-C4' energy: -53.519
flat angles P-C4'-P energy: -27.952
tors. eta vs tors. theta energy: -21.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -255.573033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.573033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.573033 (E_RNA)
where:
Base-Base interactions energy: -103.691
where: short stacking energy: -89.649
Base-Backbone interact. energy: 0.192
local terms energy: -152.073636
where:
bonds (distance) C4'-P energy: -42.402
bonds (distance) P-C4' energy: -51.282
flat angles C4'-P-C4' energy: -26.438
flat angles P-C4'-P energy: -25.610
tors. eta vs tors. theta energy: -6.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -255.345482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.345482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.345482 (E_RNA)
where:
Base-Base interactions energy: -86.721
where: short stacking energy: -82.019
Base-Backbone interact. energy: -1.062
local terms energy: -167.562909
where:
bonds (distance) C4'-P energy: -54.622
bonds (distance) P-C4' energy: -52.875
flat angles C4'-P-C4' energy: -29.415
flat angles P-C4'-P energy: -33.427
tors. eta vs tors. theta energy: 2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -911.814635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.814635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.814635 (E_RNA)
where:
Base-Base interactions energy: -634.136
where: short stacking energy: -254.596
Base-Backbone interact. energy: -0.911
local terms energy: -276.767535
where:
bonds (distance) C4'-P energy: -52.399
bonds (distance) P-C4' energy: -53.670
flat angles C4'-P-C4' energy: -58.065
flat angles P-C4'-P energy: -35.516
tors. eta vs tors. theta energy: -77.118
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: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -916.581240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.581240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.581240 (E_RNA)
where:
Base-Base interactions energy: -638.478
where: short stacking energy: -258.707
Base-Backbone interact. energy: -1.681
local terms energy: -276.423047
where:
bonds (distance) C4'-P energy: -54.479
bonds (distance) P-C4' energy: -41.548
flat angles C4'-P-C4' energy: -65.475
flat angles P-C4'-P energy: -35.682
tors. eta vs tors. theta energy: -79.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -840.275733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.275733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.275733 (E_RNA)
where:
Base-Base interactions energy: -573.169
where: short stacking energy: -251.697
Base-Backbone interact. energy: -0.248
local terms energy: -266.858415
where:
bonds (distance) C4'-P energy: -56.540
bonds (distance) P-C4' energy: -48.085
flat angles C4'-P-C4' energy: -53.328
flat angles P-C4'-P energy: -40.939
tors. eta vs tors. theta energy: -67.966
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: 5
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -853.772074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.772074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.772074 (E_RNA)
where:
Base-Base interactions energy: -580.655
where: short stacking energy: -260.044
Base-Backbone interact. energy: -1.229
local terms energy: -271.888059
where:
bonds (distance) C4'-P energy: -51.506
bonds (distance) P-C4' energy: -54.840
flat angles C4'-P-C4' energy: -59.602
flat angles P-C4'-P energy: -33.748
tors. eta vs tors. theta energy: -72.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -770.690383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.690383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.690383 (E_RNA)
where:
Base-Base interactions energy: -509.364
where: short stacking energy: -221.810
Base-Backbone interact. energy: -2.436
local terms energy: -258.890410
where:
bonds (distance) C4'-P energy: -44.709
bonds (distance) P-C4' energy: -52.861
flat angles C4'-P-C4' energy: -54.416
flat angles P-C4'-P energy: -38.624
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: 6, replica: 6
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -763.049075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.049075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.049075 (E_RNA)
where:
Base-Base interactions energy: -511.391
where: short stacking energy: -211.492
Base-Backbone interact. energy: -1.415
local terms energy: -250.243377
where:
bonds (distance) C4'-P energy: -48.630
bonds (distance) P-C4' energy: -58.386
flat angles C4'-P-C4' energy: -50.755
flat angles P-C4'-P energy: -30.512
tors. eta vs tors. theta energy: -61.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -523.929001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.929001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.929001 (E_RNA)
where:
Base-Base interactions energy: -320.753
where: short stacking energy: -152.953
Base-Backbone interact. energy: 0.509
local terms energy: -203.685108
where:
bonds (distance) C4'-P energy: -54.186
bonds (distance) P-C4' energy: -51.541
flat angles C4'-P-C4' energy: -48.695
flat angles P-C4'-P energy: -20.058
tors. eta vs tors. theta energy: -29.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -261.494985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.494985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.494985 (E_RNA)
where:
Base-Base interactions energy: -89.315
where: short stacking energy: -82.515
Base-Backbone interact. energy: 0.438
local terms energy: -172.617750
where:
bonds (distance) C4'-P energy: -51.085
bonds (distance) P-C4' energy: -37.380
flat angles C4'-P-C4' energy: -47.766
flat angles P-C4'-P energy: -29.780
tors. eta vs tors. theta energy: -6.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -343.885087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.885087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.885087 (E_RNA)
where:
Base-Base interactions energy: -177.929
where: short stacking energy: -119.145
Base-Backbone interact. energy: -0.496
local terms energy: -165.460035
where:
bonds (distance) C4'-P energy: -47.792
bonds (distance) P-C4' energy: -35.485
flat angles C4'-P-C4' energy: -41.906
flat angles P-C4'-P energy: -25.110
tors. eta vs tors. theta energy: -15.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -232.420449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.420449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.420449 (E_RNA)
where:
Base-Base interactions energy: -101.002
where: short stacking energy: -74.303
Base-Backbone interact. energy: 0.661
local terms energy: -132.078811
where:
bonds (distance) C4'-P energy: -38.957
bonds (distance) P-C4' energy: -44.411
flat angles C4'-P-C4' energy: -28.398
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: -0.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -923.353301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.353301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.353301 (E_RNA)
where:
Base-Base interactions energy: -643.796
where: short stacking energy: -273.053
Base-Backbone interact. energy: -0.431
local terms energy: -279.126595
where:
bonds (distance) C4'-P energy: -51.408
bonds (distance) P-C4' energy: -56.714
flat angles C4'-P-C4' energy: -54.534
flat angles P-C4'-P energy: -33.364
tors. eta vs tors. theta energy: -83.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -927.861695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.861695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.861695 (E_RNA)
where:
Base-Base interactions energy: -656.093
where: short stacking energy: -269.379
Base-Backbone interact. energy: -1.464
local terms energy: -270.305241
where:
bonds (distance) C4'-P energy: -46.126
bonds (distance) P-C4' energy: -45.341
flat angles C4'-P-C4' energy: -58.870
flat angles P-C4'-P energy: -37.836
tors. eta vs tors. theta energy: -82.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -837.464240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.464240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.464240 (E_RNA)
where:
Base-Base interactions energy: -585.187
where: short stacking energy: -253.219
Base-Backbone interact. energy: -1.094
local terms energy: -251.183279
where:
bonds (distance) C4'-P energy: -37.384
bonds (distance) P-C4' energy: -45.184
flat angles C4'-P-C4' energy: -55.119
flat angles P-C4'-P energy: -42.994
tors. eta vs tors. theta energy: -70.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -794.278916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.278916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.278916 (E_RNA)
where:
Base-Base interactions energy: -541.210
where: short stacking energy: -235.169
Base-Backbone interact. energy: -0.690
local terms energy: -252.378772
where:
bonds (distance) C4'-P energy: -47.113
bonds (distance) P-C4' energy: -51.885
flat angles C4'-P-C4' energy: -56.405
flat angles P-C4'-P energy: -33.587
tors. eta vs tors. theta energy: -63.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -812.765128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.765128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.765128 (E_RNA)
where:
Base-Base interactions energy: -556.829
where: short stacking energy: -233.426
Base-Backbone interact. energy: -1.540
local terms energy: -254.395804
where:
bonds (distance) C4'-P energy: -47.437
bonds (distance) P-C4' energy: -45.287
flat angles C4'-P-C4' energy: -49.897
flat angles P-C4'-P energy: -40.727
tors. eta vs tors. theta energy: -71.047
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: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -765.584680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.584680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.584680 (E_RNA)
where:
Base-Base interactions energy: -526.221
where: short stacking energy: -227.251
Base-Backbone interact. energy: -1.155
local terms energy: -238.208321
where:
bonds (distance) C4'-P energy: -59.091
bonds (distance) P-C4' energy: -41.321
flat angles C4'-P-C4' energy: -43.099
flat angles P-C4'-P energy: -25.754
tors. eta vs tors. theta energy: -68.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -520.447941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.447941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.447941 (E_RNA)
where:
Base-Base interactions energy: -326.390
where: short stacking energy: -160.623
Base-Backbone interact. energy: 1.921
local terms energy: -195.978245
where:
bonds (distance) C4'-P energy: -39.066
bonds (distance) P-C4' energy: -48.638
flat angles C4'-P-C4' energy: -48.678
flat angles P-C4'-P energy: -22.571
tors. eta vs tors. theta energy: -37.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -336.461473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.461473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.461473 (E_RNA)
where:
Base-Base interactions energy: -152.230
where: short stacking energy: -107.184
Base-Backbone interact. energy: -0.353
local terms energy: -183.877989
where:
bonds (distance) C4'-P energy: -39.391
bonds (distance) P-C4' energy: -53.747
flat angles C4'-P-C4' energy: -51.867
flat angles P-C4'-P energy: -23.038
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -344.579597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.579597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.579597 (E_RNA)
where:
Base-Base interactions energy: -172.876
where: short stacking energy: -105.664
Base-Backbone interact. energy: 0.291
local terms energy: -171.994540
where:
bonds (distance) C4'-P energy: -42.493
bonds (distance) P-C4' energy: -48.684
flat angles C4'-P-C4' energy: -37.234
flat angles P-C4'-P energy: -39.648
tors. eta vs tors. theta energy: -3.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -239.037230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.037230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.037230 (E_RNA)
where:
Base-Base interactions energy: -93.089
where: short stacking energy: -86.311
Base-Backbone interact. energy: -1.918
local terms energy: -144.030375
where:
bonds (distance) C4'-P energy: -39.444
bonds (distance) P-C4' energy: -44.684
flat angles C4'-P-C4' energy: -37.332
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -7.482
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: 1, replica: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -928.415746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.415746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.415746 (E_RNA)
where:
Base-Base interactions energy: -643.646
where: short stacking energy: -266.332
Base-Backbone interact. energy: 0.396
local terms energy: -285.166013
where:
bonds (distance) C4'-P energy: -44.959
bonds (distance) P-C4' energy: -59.420
flat angles C4'-P-C4' energy: -57.462
flat angles P-C4'-P energy: -38.897
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: 2, replica: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -923.092092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.092092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.092092 (E_RNA)
where:
Base-Base interactions energy: -642.908
where: short stacking energy: -262.603
Base-Backbone interact. energy: 1.013
local terms energy: -281.197515
where:
bonds (distance) C4'-P energy: -41.552
bonds (distance) P-C4' energy: -52.091
flat angles C4'-P-C4' energy: -63.899
flat angles P-C4'-P energy: -43.946
tors. eta vs tors. theta energy: -79.709
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: 395
Temperature: 1.000000
Total energy: -822.614829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.614829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.614829 (E_RNA)
where:
Base-Base interactions energy: -562.931
where: short stacking energy: -234.878
Base-Backbone interact. energy: 1.720
local terms energy: -261.403226
where:
bonds (distance) C4'-P energy: -49.577
bonds (distance) P-C4' energy: -51.432
flat angles C4'-P-C4' energy: -49.824
flat angles P-C4'-P energy: -36.879
tors. eta vs tors. theta energy: -73.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -824.339294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.339294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.339294 (E_RNA)
where:
Base-Base interactions energy: -552.851
where: short stacking energy: -229.665
Base-Backbone interact. energy: -0.714
local terms energy: -270.774135
where:
bonds (distance) C4'-P energy: -48.314
bonds (distance) P-C4' energy: -60.558
flat angles C4'-P-C4' energy: -53.412
flat angles P-C4'-P energy: -37.208
tors. eta vs tors. theta energy: -71.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -765.852740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.852740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.852740 (E_RNA)
where:
Base-Base interactions energy: -534.174
where: short stacking energy: -217.501
Base-Backbone interact. energy: -0.749
local terms energy: -230.930438
where:
bonds (distance) C4'-P energy: -45.034
bonds (distance) P-C4' energy: -48.547
flat angles C4'-P-C4' energy: -41.292
flat angles P-C4'-P energy: -39.360
tors. eta vs tors. theta energy: -56.697
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: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -784.528657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.528657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.528657 (E_RNA)
where:
Base-Base interactions energy: -521.538
where: short stacking energy: -214.936
Base-Backbone interact. energy: -2.547
local terms energy: -260.443582
where:
bonds (distance) C4'-P energy: -53.050
bonds (distance) P-C4' energy: -48.590
flat angles C4'-P-C4' energy: -54.613
flat angles P-C4'-P energy: -36.627
tors. eta vs tors. theta energy: -67.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -554.230281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.230281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.230281 (E_RNA)
where:
Base-Base interactions energy: -331.759
where: short stacking energy: -152.964
Base-Backbone interact. energy: -0.693
local terms energy: -221.777901
where:
bonds (distance) C4'-P energy: -46.997
bonds (distance) P-C4' energy: -53.084
flat angles C4'-P-C4' energy: -49.773
flat angles P-C4'-P energy: -38.521
tors. eta vs tors. theta energy: -33.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -375.931437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.931437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.931437 (E_RNA)
where:
Base-Base interactions energy: -200.226
where: short stacking energy: -106.998
Base-Backbone interact. energy: 1.520
local terms energy: -177.225072
where:
bonds (distance) C4'-P energy: -48.228
bonds (distance) P-C4' energy: -45.972
flat angles C4'-P-C4' energy: -39.985
flat angles P-C4'-P energy: -29.679
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -273.247902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.247902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.247902 (E_RNA)
where:
Base-Base interactions energy: -115.787
where: short stacking energy: -73.313
Base-Backbone interact. energy: -0.641
local terms energy: -156.819340
where:
bonds (distance) C4'-P energy: -42.893
bonds (distance) P-C4' energy: -51.082
flat angles C4'-P-C4' energy: -38.617
flat angles P-C4'-P energy: -25.403
tors. eta vs tors. theta energy: 1.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -227.822349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.822349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.822349 (E_RNA)
where:
Base-Base interactions energy: -72.900
where: short stacking energy: -66.920
Base-Backbone interact. energy: 2.196
local terms energy: -157.118337
where:
bonds (distance) C4'-P energy: -39.171
bonds (distance) P-C4' energy: -52.945
flat angles C4'-P-C4' energy: -43.554
flat angles P-C4'-P energy: -29.106
tors. eta vs tors. theta energy: 7.658
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: 1, replica: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -941.137556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.137556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.137556 (E_RNA)
where:
Base-Base interactions energy: -657.651
where: short stacking energy: -265.961
Base-Backbone interact. energy: -1.406
local terms energy: -282.080083
where:
bonds (distance) C4'-P energy: -51.957
bonds (distance) P-C4' energy: -56.111
flat angles C4'-P-C4' energy: -58.055
flat angles P-C4'-P energy: -37.141
tors. eta vs tors. theta energy: -78.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -910.351080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.351080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.351080 (E_RNA)
where:
Base-Base interactions energy: -620.201
where: short stacking energy: -258.295
Base-Backbone interact. energy: -0.438
local terms energy: -289.712527
where:
bonds (distance) C4'-P energy: -58.423
bonds (distance) P-C4' energy: -54.404
flat angles C4'-P-C4' energy: -53.631
flat angles P-C4'-P energy: -39.605
tors. eta vs tors. theta energy: -83.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -877.739485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.739485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.739485 (E_RNA)
where:
Base-Base interactions energy: -590.285
where: short stacking energy: -249.014
Base-Backbone interact. energy: -1.144
local terms energy: -286.310452
where:
bonds (distance) C4'-P energy: -47.639
bonds (distance) P-C4' energy: -61.767
flat angles C4'-P-C4' energy: -55.931
flat angles P-C4'-P energy: -47.733
tors. eta vs tors. theta energy: -73.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -803.086352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.086352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.086352 (E_RNA)
where:
Base-Base interactions energy: -533.409
where: short stacking energy: -246.295
Base-Backbone interact. energy: -1.161
local terms energy: -268.516754
where:
bonds (distance) C4'-P energy: -50.493
bonds (distance) P-C4' energy: -55.407
flat angles C4'-P-C4' energy: -58.325
flat angles P-C4'-P energy: -38.383
tors. eta vs tors. theta energy: -65.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -774.237232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.237232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.237232 (E_RNA)
where:
Base-Base interactions energy: -511.239
where: short stacking energy: -221.437
Base-Backbone interact. energy: -0.075
local terms energy: -262.923471
where:
bonds (distance) C4'-P energy: -44.056
bonds (distance) P-C4' energy: -54.962
flat angles C4'-P-C4' energy: -59.766
flat angles P-C4'-P energy: -41.556
tors. eta vs tors. theta energy: -62.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -760.902450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.902450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.902450 (E_RNA)
where:
Base-Base interactions energy: -516.519
where: short stacking energy: -232.980
Base-Backbone interact. energy: 2.382
local terms energy: -246.765645
where:
bonds (distance) C4'-P energy: -52.560
bonds (distance) P-C4' energy: -33.100
flat angles C4'-P-C4' energy: -61.457
flat angles P-C4'-P energy: -25.801
tors. eta vs tors. theta energy: -73.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -587.720526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.720526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.720526 (E_RNA)
where:
Base-Base interactions energy: -363.597
where: short stacking energy: -173.233
Base-Backbone interact. energy: 0.380
local terms energy: -224.502953
where:
bonds (distance) C4'-P energy: -30.345
bonds (distance) P-C4' energy: -52.750
flat angles C4'-P-C4' energy: -58.740
flat angles P-C4'-P energy: -35.537
tors. eta vs tors. theta energy: -47.131
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: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -433.397607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.397607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.397607 (E_RNA)
where:
Base-Base interactions energy: -236.334
where: short stacking energy: -131.611
Base-Backbone interact. energy: -0.134
local terms energy: -196.929670
where:
bonds (distance) C4'-P energy: -49.974
bonds (distance) P-C4' energy: -50.341
flat angles C4'-P-C4' energy: -38.960
flat angles P-C4'-P energy: -31.374
tors. eta vs tors. theta energy: -26.281
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: 396
Temperature: 1.300000
Total energy: -255.696189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.696189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.696189 (E_RNA)
where:
Base-Base interactions energy: -94.188
where: short stacking energy: -68.415
Base-Backbone interact. energy: -0.724
local terms energy: -160.784289
where:
bonds (distance) C4'-P energy: -38.117
bonds (distance) P-C4' energy: -55.075
flat angles C4'-P-C4' energy: -46.137
flat angles P-C4'-P energy: -23.488
tors. eta vs tors. theta energy: 2.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -235.276133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.276133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.276133 (E_RNA)
where:
Base-Base interactions energy: -89.087
where: short stacking energy: -73.668
Base-Backbone interact. energy: 2.055
local terms energy: -148.244791
where:
bonds (distance) C4'-P energy: -46.043
bonds (distance) P-C4' energy: -31.827
flat angles C4'-P-C4' energy: -45.034
flat angles P-C4'-P energy: -27.468
tors. eta vs tors. theta energy: 2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -933.416415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.416415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.416415 (E_RNA)
where:
Base-Base interactions energy: -647.344
where: short stacking energy: -268.291
Base-Backbone interact. energy: -0.754
local terms energy: -285.317723
where:
bonds (distance) C4'-P energy: -56.025
bonds (distance) P-C4' energy: -55.877
flat angles C4'-P-C4' energy: -58.764
flat angles P-C4'-P energy: -38.375
tors. eta vs tors. theta energy: -76.277
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: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -897.072213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.072213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.072213 (E_RNA)
where:
Base-Base interactions energy: -609.658
where: short stacking energy: -253.855
Base-Backbone interact. energy: -0.933
local terms energy: -286.481410
where:
bonds (distance) C4'-P energy: -56.446
bonds (distance) P-C4' energy: -55.995
flat angles C4'-P-C4' energy: -52.106
flat angles P-C4'-P energy: -40.103
tors. eta vs tors. theta energy: -81.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -868.972503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.972503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.972503 (E_RNA)
where:
Base-Base interactions energy: -599.418
where: short stacking energy: -248.925
Base-Backbone interact. energy: -0.545
local terms energy: -269.010143
where:
bonds (distance) C4'-P energy: -48.040
bonds (distance) P-C4' energy: -56.063
flat angles C4'-P-C4' energy: -62.038
flat angles P-C4'-P energy: -34.568
tors. eta vs tors. theta energy: -68.301
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: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -806.765924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.765924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.765924 (E_RNA)
where:
Base-Base interactions energy: -541.694
where: short stacking energy: -249.704
Base-Backbone interact. energy: -1.146
local terms energy: -263.925998
where:
bonds (distance) C4'-P energy: -46.670
bonds (distance) P-C4' energy: -46.447
flat angles C4'-P-C4' energy: -52.903
flat angles P-C4'-P energy: -40.169
tors. eta vs tors. theta energy: -77.736
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: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -803.183931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.183931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.183931 (E_RNA)
where:
Base-Base interactions energy: -549.256
where: short stacking energy: -247.481
Base-Backbone interact. energy: -1.170
local terms energy: -252.758095
where:
bonds (distance) C4'-P energy: -48.719
bonds (distance) P-C4' energy: -49.889
flat angles C4'-P-C4' energy: -50.531
flat angles P-C4'-P energy: -31.030
tors. eta vs tors. theta energy: -72.589
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: 397
Temperature: 1.150000
Total energy: -766.685384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.685384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.685384 (E_RNA)
where:
Base-Base interactions energy: -533.498
where: short stacking energy: -229.556
Base-Backbone interact. energy: 0.373
local terms energy: -233.560408
where:
bonds (distance) C4'-P energy: -49.181
bonds (distance) P-C4' energy: -44.351
flat angles C4'-P-C4' energy: -44.905
flat angles P-C4'-P energy: -35.533
tors. eta vs tors. theta energy: -59.590
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: 397
Temperature: 1.200000
Total energy: -605.156518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.156518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.156518 (E_RNA)
where:
Base-Base interactions energy: -383.669
where: short stacking energy: -191.374
Base-Backbone interact. energy: 0.225
local terms energy: -221.712966
where:
bonds (distance) C4'-P energy: -43.410
bonds (distance) P-C4' energy: -51.747
flat angles C4'-P-C4' energy: -47.288
flat angles P-C4'-P energy: -26.381
tors. eta vs tors. theta energy: -52.886
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: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -411.835430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.835430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.835430 (E_RNA)
where:
Base-Base interactions energy: -232.695
where: short stacking energy: -114.160
Base-Backbone interact. energy: -1.349
local terms energy: -177.791052
where:
bonds (distance) C4'-P energy: -43.593
bonds (distance) P-C4' energy: -45.636
flat angles C4'-P-C4' energy: -40.739
flat angles P-C4'-P energy: -30.444
tors. eta vs tors. theta energy: -17.379
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: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -241.737423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.737423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.737423 (E_RNA)
where:
Base-Base interactions energy: -92.554
where: short stacking energy: -74.497
Base-Backbone interact. energy: -0.653
local terms energy: -148.531168
where:
bonds (distance) C4'-P energy: -46.730
bonds (distance) P-C4' energy: -49.151
flat angles C4'-P-C4' energy: -22.355
flat angles P-C4'-P energy: -24.384
tors. eta vs tors. theta energy: -5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -237.211445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.211445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.211445 (E_RNA)
where:
Base-Base interactions energy: -95.106
where: short stacking energy: -73.576
Base-Backbone interact. energy: 0.105
local terms energy: -142.209792
where:
bonds (distance) C4'-P energy: -35.825
bonds (distance) P-C4' energy: -44.593
flat angles C4'-P-C4' energy: -35.657
flat angles P-C4'-P energy: -24.706
tors. eta vs tors. theta energy: -1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -936.883604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.883604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.883604 (E_RNA)
where:
Base-Base interactions energy: -651.648
where: short stacking energy: -268.491
Base-Backbone interact. energy: -1.862
local terms energy: -283.374121
where:
bonds (distance) C4'-P energy: -53.072
bonds (distance) P-C4' energy: -52.641
flat angles C4'-P-C4' energy: -57.675
flat angles P-C4'-P energy: -37.639
tors. eta vs tors. theta energy: -82.346
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: 398
Temperature: 0.950000
Total energy: -929.585277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.585277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.585277 (E_RNA)
where:
Base-Base interactions energy: -653.779
where: short stacking energy: -257.601
Base-Backbone interact. energy: -0.739
local terms energy: -275.067643
where:
bonds (distance) C4'-P energy: -51.235
bonds (distance) P-C4' energy: -49.052
flat angles C4'-P-C4' energy: -57.626
flat angles P-C4'-P energy: -34.710
tors. eta vs tors. theta energy: -82.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -831.656490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.656490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.656490 (E_RNA)
where:
Base-Base interactions energy: -570.771
where: short stacking energy: -263.361
Base-Backbone interact. energy: -1.414
local terms energy: -259.470898
where:
bonds (distance) C4'-P energy: -41.355
bonds (distance) P-C4' energy: -55.629
flat angles C4'-P-C4' energy: -50.719
flat angles P-C4'-P energy: -33.392
tors. eta vs tors. theta energy: -78.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -883.330340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.330340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.330340 (E_RNA)
where:
Base-Base interactions energy: -611.779
where: short stacking energy: -258.277
Base-Backbone interact. energy: 0.578
local terms energy: -272.128746
where:
bonds (distance) C4'-P energy: -46.329
bonds (distance) P-C4' energy: -56.154
flat angles C4'-P-C4' energy: -59.538
flat angles P-C4'-P energy: -39.829
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: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -767.010145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.010145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.010145 (E_RNA)
where:
Base-Base interactions energy: -518.755
where: short stacking energy: -222.579
Base-Backbone interact. energy: -0.632
local terms energy: -247.622622
where:
bonds (distance) C4'-P energy: -41.277
bonds (distance) P-C4' energy: -48.753
flat angles C4'-P-C4' energy: -56.938
flat angles P-C4'-P energy: -32.066
tors. eta vs tors. theta energy: -68.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -756.951524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.951524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.951524 (E_RNA)
where:
Base-Base interactions energy: -508.687
where: short stacking energy: -213.228
Base-Backbone interact. energy: -0.080
local terms energy: -248.184815
where:
bonds (distance) C4'-P energy: -44.732
bonds (distance) P-C4' energy: -53.660
flat angles C4'-P-C4' energy: -52.815
flat angles P-C4'-P energy: -37.456
tors. eta vs tors. theta energy: -59.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -555.714212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.714212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.714212 (E_RNA)
where:
Base-Base interactions energy: -348.130
where: short stacking energy: -171.544
Base-Backbone interact. energy: -2.435
local terms energy: -205.149896
where:
bonds (distance) C4'-P energy: -41.564
bonds (distance) P-C4' energy: -43.121
flat angles C4'-P-C4' energy: -45.919
flat angles P-C4'-P energy: -31.939
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: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -413.734243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.734243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.734243 (E_RNA)
where:
Base-Base interactions energy: -212.875
where: short stacking energy: -117.275
Base-Backbone interact. energy: -1.312
local terms energy: -199.546955
where:
bonds (distance) C4'-P energy: -44.621
bonds (distance) P-C4' energy: -49.728
flat angles C4'-P-C4' energy: -43.963
flat angles P-C4'-P energy: -38.941
tors. eta vs tors. theta energy: -22.294
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: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -287.215709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.215709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.215709 (E_RNA)
where:
Base-Base interactions energy: -112.483
where: short stacking energy: -79.298
Base-Backbone interact. energy: -2.221
local terms energy: -172.512028
where:
bonds (distance) C4'-P energy: -43.682
bonds (distance) P-C4' energy: -45.173
flat angles C4'-P-C4' energy: -40.800
flat angles P-C4'-P energy: -39.594
tors. eta vs tors. theta energy: -3.263
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: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -242.381578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.381578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.381578 (E_RNA)
where:
Base-Base interactions energy: -99.826
where: short stacking energy: -63.637
Base-Backbone interact. energy: -0.587
local terms energy: -141.968969
where:
bonds (distance) C4'-P energy: -48.950
bonds (distance) P-C4' energy: -34.995
flat angles C4'-P-C4' energy: -39.480
flat angles P-C4'-P energy: -17.877
tors. eta vs tors. theta energy: -0.667
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: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -937.791674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.791674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.791674 (E_RNA)
where:
Base-Base interactions energy: -652.178
where: short stacking energy: -267.658
Base-Backbone interact. energy: -1.972
local terms energy: -283.641803
where:
bonds (distance) C4'-P energy: -48.403
bonds (distance) P-C4' energy: -57.002
flat angles C4'-P-C4' energy: -58.437
flat angles P-C4'-P energy: -39.106
tors. eta vs tors. theta energy: -80.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -908.370238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.370238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.370238 (E_RNA)
where:
Base-Base interactions energy: -633.175
where: short stacking energy: -267.726
Base-Backbone interact. energy: -0.206
local terms energy: -274.989459
where:
bonds (distance) C4'-P energy: -53.044
bonds (distance) P-C4' energy: -44.106
flat angles C4'-P-C4' energy: -56.730
flat angles P-C4'-P energy: -40.286
tors. eta vs tors. theta energy: -80.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -826.521031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.521031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.521031 (E_RNA)
where:
Base-Base interactions energy: -564.268
where: short stacking energy: -243.794
Base-Backbone interact. energy: -1.132
local terms energy: -261.121470
where:
bonds (distance) C4'-P energy: -47.089
bonds (distance) P-C4' energy: -50.609
flat angles C4'-P-C4' energy: -52.723
flat angles P-C4'-P energy: -35.014
tors. eta vs tors. theta energy: -75.686
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: 4, replica: 6
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -815.155535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.155535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.155535 (E_RNA)
where:
Base-Base interactions energy: -555.090
where: short stacking energy: -238.496
Base-Backbone interact. energy: -0.780
local terms energy: -259.284803
where:
bonds (distance) C4'-P energy: -49.093
bonds (distance) P-C4' energy: -49.631
flat angles C4'-P-C4' energy: -46.874
flat angles P-C4'-P energy: -43.624
tors. eta vs tors. theta energy: -70.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -794.631247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.631247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.631247 (E_RNA)
where:
Base-Base interactions energy: -545.514
where: short stacking energy: -225.835
Base-Backbone interact. energy: 0.450
local terms energy: -249.567521
where:
bonds (distance) C4'-P energy: -37.950
bonds (distance) P-C4' energy: -49.612
flat angles C4'-P-C4' energy: -58.189
flat angles P-C4'-P energy: -40.550
tors. eta vs tors. theta energy: -63.266
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: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -751.570650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.570650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.570650 (E_RNA)
where:
Base-Base interactions energy: -519.701
where: short stacking energy: -207.933
Base-Backbone interact. energy: -1.298
local terms energy: -230.571477
where:
bonds (distance) C4'-P energy: -49.162
bonds (distance) P-C4' energy: -44.887
flat angles C4'-P-C4' energy: -57.780
flat angles P-C4'-P energy: -29.597
tors. eta vs tors. theta energy: -49.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -537.182740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.182740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.182740 (E_RNA)
where:
Base-Base interactions energy: -334.959
where: short stacking energy: -146.142
Base-Backbone interact. energy: -0.236
local terms energy: -201.987980
where:
bonds (distance) C4'-P energy: -51.852
bonds (distance) P-C4' energy: -49.260
flat angles C4'-P-C4' energy: -41.833
flat angles P-C4'-P energy: -29.432
tors. eta vs tors. theta energy: -29.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -417.364598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.364598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.364598 (E_RNA)
where:
Base-Base interactions energy: -228.153
where: short stacking energy: -116.006
Base-Backbone interact. energy: -0.297
local terms energy: -188.913730
where:
bonds (distance) C4'-P energy: -45.753
bonds (distance) P-C4' energy: -50.407
flat angles C4'-P-C4' energy: -53.018
flat angles P-C4'-P energy: -25.524
tors. eta vs tors. theta energy: -14.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -276.088727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.088727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.088727 (E_RNA)
where:
Base-Base interactions energy: -117.409
where: short stacking energy: -63.238
Base-Backbone interact. energy: 3.610
local terms energy: -162.290052
where:
bonds (distance) C4'-P energy: -49.599
bonds (distance) P-C4' energy: -48.293
flat angles C4'-P-C4' energy: -32.771
flat angles P-C4'-P energy: -32.257
tors. eta vs tors. theta energy: 0.630
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: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -233.573925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.573925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.573925 (E_RNA)
where:
Base-Base interactions energy: -81.552
where: short stacking energy: -76.408
Base-Backbone interact. energy: -0.232
local terms energy: -151.789930
where:
bonds (distance) C4'-P energy: -41.467
bonds (distance) P-C4' energy: -43.412
flat angles C4'-P-C4' energy: -33.385
flat angles P-C4'-P energy: -27.989
tors. eta vs tors. theta energy: -5.537
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: 1
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -948.369879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.369879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.369879 (E_RNA)
where:
Base-Base interactions energy: -654.667
where: short stacking energy: -274.885
Base-Backbone interact. energy: 7.498
local terms energy: -301.200593
where:
bonds (distance) C4'-P energy: -57.653
bonds (distance) P-C4' energy: -52.829
flat angles C4'-P-C4' energy: -60.528
flat angles P-C4'-P energy: -44.167
tors. eta vs tors. theta energy: -86.023
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: 3
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -916.346260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.346260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.346260 (E_RNA)
where:
Base-Base interactions energy: -631.278
where: short stacking energy: -262.451
Base-Backbone interact. energy: 1.630
local terms energy: -286.697418
where:
bonds (distance) C4'-P energy: -55.084
bonds (distance) P-C4' energy: -58.378
flat angles C4'-P-C4' energy: -53.572
flat angles P-C4'-P energy: -42.445
tors. eta vs tors. theta energy: -77.219
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: 6
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -834.850091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.850091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.850091 (E_RNA)
where:
Base-Base interactions energy: -551.114
where: short stacking energy: -244.509
Base-Backbone interact. energy: -0.755
local terms energy: -282.981315
where:
bonds (distance) C4'-P energy: -51.961
bonds (distance) P-C4' energy: -56.385
flat angles C4'-P-C4' energy: -59.077
flat angles P-C4'-P energy: -43.282
tors. eta vs tors. theta energy: -72.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -813.332504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.332504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.332504 (E_RNA)
where:
Base-Base interactions energy: -529.304
where: short stacking energy: -234.085
Base-Backbone interact. energy: -1.048
local terms energy: -282.981186
where:
bonds (distance) C4'-P energy: -49.474
bonds (distance) P-C4' energy: -57.809
flat angles C4'-P-C4' energy: -59.441
flat angles P-C4'-P energy: -43.783
tors. eta vs tors. theta energy: -72.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -800.202038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.202038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.202038 (E_RNA)
where:
Base-Base interactions energy: -546.582
where: short stacking energy: -228.574
Base-Backbone interact. energy: -1.657
local terms energy: -251.962525
where:
bonds (distance) C4'-P energy: -44.404
bonds (distance) P-C4' energy: -46.838
flat angles C4'-P-C4' energy: -52.641
flat angles P-C4'-P energy: -42.629
tors. eta vs tors. theta energy: -65.451
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: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -702.561031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.561031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.561031 (E_RNA)
where:
Base-Base interactions energy: -459.877
where: short stacking energy: -195.725
Base-Backbone interact. energy: -0.087
local terms energy: -242.597234
where:
bonds (distance) C4'-P energy: -44.529
bonds (distance) P-C4' energy: -43.584
flat angles C4'-P-C4' energy: -50.394
flat angles P-C4'-P energy: -47.911
tors. eta vs tors. theta energy: -56.180
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: 400
Temperature: 1.200000
Total energy: -508.596836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.596836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.596836 (E_RNA)
where:
Base-Base interactions energy: -302.487
where: short stacking energy: -128.920
Base-Backbone interact. energy: 0.244
local terms energy: -206.354512
where:
bonds (distance) C4'-P energy: -46.945
bonds (distance) P-C4' energy: -52.800
flat angles C4'-P-C4' energy: -41.380
flat angles P-C4'-P energy: -31.229
tors. eta vs tors. theta energy: -34.000
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: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -427.302976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.302976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.302976 (E_RNA)
where:
Base-Base interactions energy: -237.151
where: short stacking energy: -132.990
Base-Backbone interact. energy: -1.295
local terms energy: -188.857113
where:
bonds (distance) C4'-P energy: -46.461
bonds (distance) P-C4' energy: -37.778
flat angles C4'-P-C4' energy: -45.189
flat angles P-C4'-P energy: -29.853
tors. eta vs tors. theta energy: -29.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -254.913265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.913265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.913265 (E_RNA)
where:
Base-Base interactions energy: -99.531
where: short stacking energy: -91.764
Base-Backbone interact. energy: 1.648
local terms energy: -157.029811
where:
bonds (distance) C4'-P energy: -41.775
bonds (distance) P-C4' energy: -37.023
flat angles C4'-P-C4' energy: -47.381
flat angles P-C4'-P energy: -29.232
tors. eta vs tors. theta energy: -1.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -246.977751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.977751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.977751 (E_RNA)
where:
Base-Base interactions energy: -103.953
where: short stacking energy: -84.364
Base-Backbone interact. energy: -1.305
local terms energy: -141.719635
where:
bonds (distance) C4'-P energy: -48.181
bonds (distance) P-C4' energy: -40.991
flat angles C4'-P-C4' energy: -41.292
flat angles P-C4'-P energy: -19.427
tors. eta vs tors. theta energy: 8.173
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: 1, replica: 1
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -932.869906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.869906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.869906 (E_RNA)
where:
Base-Base interactions energy: -654.508
where: short stacking energy: -275.013
Base-Backbone interact. energy: -1.810
local terms energy: -276.551902
where:
bonds (distance) C4'-P energy: -51.487
bonds (distance) P-C4' energy: -51.281
flat angles C4'-P-C4' energy: -56.497
flat angles P-C4'-P energy: -37.850
tors. eta vs tors. theta energy: -79.437
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: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -912.240486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.240486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.240486 (E_RNA)
where:
Base-Base interactions energy: -637.742
where: short stacking energy: -259.517
Base-Backbone interact. energy: -2.945
local terms energy: -271.553563
where:
bonds (distance) C4'-P energy: -42.481
bonds (distance) P-C4' energy: -56.009
flat angles C4'-P-C4' energy: -61.281
flat angles P-C4'-P energy: -37.911
tors. eta vs tors. theta energy: -73.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -809.763076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.763076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.763076 (E_RNA)
where:
Base-Base interactions energy: -553.367
where: short stacking energy: -241.059
Base-Backbone interact. energy: -1.767
local terms energy: -254.629408
where:
bonds (distance) C4'-P energy: -42.614
bonds (distance) P-C4' energy: -45.776
flat angles C4'-P-C4' energy: -57.214
flat angles P-C4'-P energy: -38.538
tors. eta vs tors. theta energy: -70.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -849.638147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.638147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.638147 (E_RNA)
where:
Base-Base interactions energy: -577.419
where: short stacking energy: -231.412
Base-Backbone interact. energy: -1.396
local terms energy: -270.823069
where:
bonds (distance) C4'-P energy: -50.653
bonds (distance) P-C4' energy: -54.287
flat angles C4'-P-C4' energy: -57.122
flat angles P-C4'-P energy: -34.025
tors. eta vs tors. theta energy: -74.735
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: 401
Temperature: 1.100000
Total energy: -797.688473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.688473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.688473 (E_RNA)
where:
Base-Base interactions energy: -544.152
where: short stacking energy: -240.651
Base-Backbone interact. energy: -0.495
local terms energy: -253.041409
where:
bonds (distance) C4'-P energy: -43.059
bonds (distance) P-C4' energy: -45.002
flat angles C4'-P-C4' energy: -59.239
flat angles P-C4'-P energy: -32.393
tors. eta vs tors. theta energy: -73.348
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: 10
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -716.575228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.575228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.575228 (E_RNA)
where:
Base-Base interactions energy: -474.412
where: short stacking energy: -210.538
Base-Backbone interact. energy: -0.684
local terms energy: -241.478437
where:
bonds (distance) C4'-P energy: -35.991
bonds (distance) P-C4' energy: -56.637
flat angles C4'-P-C4' energy: -53.422
flat angles P-C4'-P energy: -38.759
tors. eta vs tors. theta energy: -56.670
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: 401
Temperature: 1.200000
Total energy: -486.795119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.795119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.795119 (E_RNA)
where:
Base-Base interactions energy: -287.461
where: short stacking energy: -139.161
Base-Backbone interact. energy: -1.539
local terms energy: -197.795637
where:
bonds (distance) C4'-P energy: -44.090
bonds (distance) P-C4' energy: -37.325
flat angles C4'-P-C4' energy: -58.339
flat angles P-C4'-P energy: -24.703
tors. eta vs tors. theta energy: -33.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -457.823625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.823625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.823625 (E_RNA)
where:
Base-Base interactions energy: -266.522
where: short stacking energy: -129.023
Base-Backbone interact. energy: 3.185
local terms energy: -194.486719
where:
bonds (distance) C4'-P energy: -46.978
bonds (distance) P-C4' energy: -48.544
flat angles C4'-P-C4' energy: -48.319
flat angles P-C4'-P energy: -29.937
tors. eta vs tors. theta energy: -20.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -240.746563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.746563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.746563 (E_RNA)
where:
Base-Base interactions energy: -82.585
where: short stacking energy: -78.035
Base-Backbone interact. energy: -0.847
local terms energy: -157.314640
where:
bonds (distance) C4'-P energy: -43.447
bonds (distance) P-C4' energy: -49.223
flat angles C4'-P-C4' energy: -48.846
flat angles P-C4'-P energy: -20.867
tors. eta vs tors. theta energy: 5.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -241.888382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.888382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.888382 (E_RNA)
where:
Base-Base interactions energy: -86.590
where: short stacking energy: -73.726
Base-Backbone interact. energy: 1.271
local terms energy: -156.569769
where:
bonds (distance) C4'-P energy: -41.635
bonds (distance) P-C4' energy: -43.657
flat angles C4'-P-C4' energy: -42.040
flat angles P-C4'-P energy: -33.389
tors. eta vs tors. theta energy: 4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -927.211179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.211179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.211179 (E_RNA)
where:
Base-Base interactions energy: -644.279
where: short stacking energy: -265.568
Base-Backbone interact. energy: 4.467
local terms energy: -287.398864
where:
bonds (distance) C4'-P energy: -61.082
bonds (distance) P-C4' energy: -48.536
flat angles C4'-P-C4' energy: -62.343
flat angles P-C4'-P energy: -43.549
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: 2, replica: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -922.867015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.867015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.867015 (E_RNA)
where:
Base-Base interactions energy: -633.334
where: short stacking energy: -275.020
Base-Backbone interact. energy: -0.591
local terms energy: -288.941253
where:
bonds (distance) C4'-P energy: -51.893
bonds (distance) P-C4' energy: -49.588
flat angles C4'-P-C4' energy: -58.587
flat angles P-C4'-P energy: -46.444
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: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -842.409937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.409937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.409937 (E_RNA)
where:
Base-Base interactions energy: -577.625
where: short stacking energy: -246.102
Base-Backbone interact. energy: -1.137
local terms energy: -263.648199
where:
bonds (distance) C4'-P energy: -42.341
bonds (distance) P-C4' energy: -58.049
flat angles C4'-P-C4' energy: -57.289
flat angles P-C4'-P energy: -37.670
tors. eta vs tors. theta energy: -68.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -836.545725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.545725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.545725 (E_RNA)
where:
Base-Base interactions energy: -559.175
where: short stacking energy: -242.528
Base-Backbone interact. energy: -0.578
local terms energy: -276.792421
where:
bonds (distance) C4'-P energy: -48.853
bonds (distance) P-C4' energy: -45.747
flat angles C4'-P-C4' energy: -59.758
flat angles P-C4'-P energy: -45.832
tors. eta vs tors. theta energy: -76.603
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: 402
Temperature: 1.100000
Total energy: -798.908816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.908816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.908816 (E_RNA)
where:
Base-Base interactions energy: -553.237
where: short stacking energy: -241.656
Base-Backbone interact. energy: -0.481
local terms energy: -245.190857
where:
bonds (distance) C4'-P energy: -44.357
bonds (distance) P-C4' energy: -42.241
flat angles C4'-P-C4' energy: -52.999
flat angles P-C4'-P energy: -38.652
tors. eta vs tors. theta energy: -66.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -692.143910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.143910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.143910 (E_RNA)
where:
Base-Base interactions energy: -455.525
where: short stacking energy: -203.373
Base-Backbone interact. energy: -0.835
local terms energy: -235.784594
where:
bonds (distance) C4'-P energy: -36.411
bonds (distance) P-C4' energy: -52.628
flat angles C4'-P-C4' energy: -53.614
flat angles P-C4'-P energy: -39.110
tors. eta vs tors. theta energy: -54.022
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: 4
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -462.355368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.355368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.355368 (E_RNA)
where:
Base-Base interactions energy: -282.236
where: short stacking energy: -133.328
Base-Backbone interact. energy: -0.894
local terms energy: -179.224799
where:
bonds (distance) C4'-P energy: -42.891
bonds (distance) P-C4' energy: -51.186
flat angles C4'-P-C4' energy: -45.701
flat angles P-C4'-P energy: -18.175
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: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -486.465780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.465780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.465780 (E_RNA)
where:
Base-Base interactions energy: -285.664
where: short stacking energy: -152.519
Base-Backbone interact. energy: -2.395
local terms energy: -198.405997
where:
bonds (distance) C4'-P energy: -45.098
bonds (distance) P-C4' energy: -48.764
flat angles C4'-P-C4' energy: -44.696
flat angles P-C4'-P energy: -34.709
tors. eta vs tors. theta energy: -25.139
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: 9, replica: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -248.837581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.837581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.837581 (E_RNA)
where:
Base-Base interactions energy: -91.850
where: short stacking energy: -89.346
Base-Backbone interact. energy: 0.768
local terms energy: -157.755532
where:
bonds (distance) C4'-P energy: -51.173
bonds (distance) P-C4' energy: -35.977
flat angles C4'-P-C4' energy: -45.815
flat angles P-C4'-P energy: -24.943
tors. eta vs tors. theta energy: 0.153
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: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -221.186915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.186915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.186915 (E_RNA)
where:
Base-Base interactions energy: -74.728
where: short stacking energy: -68.578
Base-Backbone interact. energy: 1.824
local terms energy: -148.283193
where:
bonds (distance) C4'-P energy: -42.198
bonds (distance) P-C4' energy: -45.670
flat angles C4'-P-C4' energy: -53.047
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: 0.583
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: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -905.943438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.943438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.943438 (E_RNA)
where:
Base-Base interactions energy: -631.986
where: short stacking energy: -258.425
Base-Backbone interact. energy: -1.360
local terms energy: -272.597304
where:
bonds (distance) C4'-P energy: -48.238
bonds (distance) P-C4' energy: -51.225
flat angles C4'-P-C4' energy: -60.911
flat angles P-C4'-P energy: -36.647
tors. eta vs tors. theta energy: -75.577
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: 403
Temperature: 0.950000
Total energy: -899.602710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.602710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.602710 (E_RNA)
where:
Base-Base interactions energy: -626.674
where: short stacking energy: -273.272
Base-Backbone interact. energy: -0.467
local terms energy: -272.461476
where:
bonds (distance) C4'-P energy: -42.672
bonds (distance) P-C4' energy: -44.115
flat angles C4'-P-C4' energy: -57.217
flat angles P-C4'-P energy: -46.721
tors. eta vs tors. theta energy: -81.736
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: 403
Temperature: 1.000000
Total energy: -862.848133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.848133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.848133 (E_RNA)
where:
Base-Base interactions energy: -598.844
where: short stacking energy: -258.040
Base-Backbone interact. energy: 0.139
local terms energy: -264.143203
where:
bonds (distance) C4'-P energy: -55.697
bonds (distance) P-C4' energy: -46.920
flat angles C4'-P-C4' energy: -54.434
flat angles P-C4'-P energy: -30.445
tors. eta vs tors. theta energy: -76.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -832.439109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.439109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.439109 (E_RNA)
where:
Base-Base interactions energy: -566.045
where: short stacking energy: -239.448
Base-Backbone interact. energy: -1.074
local terms energy: -265.320079
where:
bonds (distance) C4'-P energy: -37.634
bonds (distance) P-C4' energy: -54.945
flat angles C4'-P-C4' energy: -57.269
flat angles P-C4'-P energy: -37.007
tors. eta vs tors. theta energy: -78.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -788.324244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.324244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.324244 (E_RNA)
where:
Base-Base interactions energy: -532.802
where: short stacking energy: -241.183
Base-Backbone interact. energy: -1.048
local terms energy: -254.473847
where:
bonds (distance) C4'-P energy: -42.252
bonds (distance) P-C4' energy: -50.660
flat angles C4'-P-C4' energy: -58.516
flat angles P-C4'-P energy: -32.219
tors. eta vs tors. theta energy: -70.828
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: 403
Temperature: 1.150000
Total energy: -678.486270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.486270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.486270 (E_RNA)
where:
Base-Base interactions energy: -452.680
where: short stacking energy: -187.835
Base-Backbone interact. energy: 1.685
local terms energy: -227.491437
where:
bonds (distance) C4'-P energy: -42.536
bonds (distance) P-C4' energy: -47.425
flat angles C4'-P-C4' energy: -50.117
flat angles P-C4'-P energy: -40.788
tors. eta vs tors. theta energy: -46.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -465.554571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.554571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.554571 (E_RNA)
where:
Base-Base interactions energy: -271.859
where: short stacking energy: -142.471
Base-Backbone interact. energy: -3.010
local terms energy: -190.686360
where:
bonds (distance) C4'-P energy: -35.537
bonds (distance) P-C4' energy: -46.556
flat angles C4'-P-C4' energy: -49.696
flat angles P-C4'-P energy: -29.354
tors. eta vs tors. theta energy: -29.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -467.378853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.378853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.378853 (E_RNA)
where:
Base-Base interactions energy: -278.485
where: short stacking energy: -130.703
Base-Backbone interact. energy: -2.389
local terms energy: -186.504267
where:
bonds (distance) C4'-P energy: -38.379
bonds (distance) P-C4' energy: -51.472
flat angles C4'-P-C4' energy: -52.448
flat angles P-C4'-P energy: -22.333
tors. eta vs tors. theta energy: -21.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -242.189845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.189845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.189845 (E_RNA)
where:
Base-Base interactions energy: -101.738
where: short stacking energy: -76.933
Base-Backbone interact. energy: -0.638
local terms energy: -139.814139
where:
bonds (distance) C4'-P energy: -49.781
bonds (distance) P-C4' energy: -39.854
flat angles C4'-P-C4' energy: -37.387
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: 0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -222.071774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.071774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.071774 (E_RNA)
where:
Base-Base interactions energy: -92.689
where: short stacking energy: -87.153
Base-Backbone interact. energy: -1.113
local terms energy: -128.269774
where:
bonds (distance) C4'-P energy: -45.126
bonds (distance) P-C4' energy: -35.518
flat angles C4'-P-C4' energy: -32.157
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -920.732531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.732531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.732531 (E_RNA)
where:
Base-Base interactions energy: -633.115
where: short stacking energy: -261.856
Base-Backbone interact. energy: -0.897
local terms energy: -286.719857
where:
bonds (distance) C4'-P energy: -49.905
bonds (distance) P-C4' energy: -55.475
flat angles C4'-P-C4' energy: -59.813
flat angles P-C4'-P energy: -48.498
tors. eta vs tors. theta energy: -73.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -896.910498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.910498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.910498 (E_RNA)
where:
Base-Base interactions energy: -607.729
where: short stacking energy: -245.729
Base-Backbone interact. energy: -1.344
local terms energy: -287.837313
where:
bonds (distance) C4'-P energy: -51.697
bonds (distance) P-C4' energy: -54.137
flat angles C4'-P-C4' energy: -60.493
flat angles P-C4'-P energy: -50.266
tors. eta vs tors. theta energy: -71.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -830.728056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.728056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.728056 (E_RNA)
where:
Base-Base interactions energy: -562.238
where: short stacking energy: -243.861
Base-Backbone interact. energy: -1.555
local terms energy: -266.934998
where:
bonds (distance) C4'-P energy: -46.252
bonds (distance) P-C4' energy: -49.017
flat angles C4'-P-C4' energy: -54.130
flat angles P-C4'-P energy: -42.936
tors. eta vs tors. theta energy: -74.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -822.580377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.580377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.580377 (E_RNA)
where:
Base-Base interactions energy: -561.795
where: short stacking energy: -240.442
Base-Backbone interact. energy: -0.887
local terms energy: -259.898848
where:
bonds (distance) C4'-P energy: -43.652
bonds (distance) P-C4' energy: -55.124
flat angles C4'-P-C4' energy: -50.013
flat angles P-C4'-P energy: -38.363
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: 5, replica: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -805.239784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.239784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.239784 (E_RNA)
where:
Base-Base interactions energy: -552.329
where: short stacking energy: -237.285
Base-Backbone interact. energy: 0.962
local terms energy: -253.872822
where:
bonds (distance) C4'-P energy: -53.067
bonds (distance) P-C4' energy: -44.212
flat angles C4'-P-C4' energy: -52.755
flat angles P-C4'-P energy: -38.897
tors. eta vs tors. theta energy: -64.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -663.450892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.450892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.450892 (E_RNA)
where:
Base-Base interactions energy: -442.420
where: short stacking energy: -202.773
Base-Backbone interact. energy: 2.213
local terms energy: -223.244508
where:
bonds (distance) C4'-P energy: -45.728
bonds (distance) P-C4' energy: -59.667
flat angles C4'-P-C4' energy: -36.843
flat angles P-C4'-P energy: -33.901
tors. eta vs tors. theta energy: -47.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -508.265394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.265394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.265394 (E_RNA)
where:
Base-Base interactions energy: -305.697
where: short stacking energy: -150.737
Base-Backbone interact. energy: 2.031
local terms energy: -204.599260
where:
bonds (distance) C4'-P energy: -40.986
bonds (distance) P-C4' energy: -52.240
flat angles C4'-P-C4' energy: -51.116
flat angles P-C4'-P energy: -24.393
tors. eta vs tors. theta energy: -35.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -412.821354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.821354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.821354 (E_RNA)
where:
Base-Base interactions energy: -212.411
where: short stacking energy: -111.650
Base-Backbone interact. energy: -2.306
local terms energy: -198.104312
where:
bonds (distance) C4'-P energy: -49.785
bonds (distance) P-C4' energy: -56.562
flat angles C4'-P-C4' energy: -44.777
flat angles P-C4'-P energy: -29.523
tors. eta vs tors. theta energy: -17.457
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: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -338.794192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.794192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.794192 (E_RNA)
where:
Base-Base interactions energy: -172.178
where: short stacking energy: -104.459
Base-Backbone interact. energy: -0.247
local terms energy: -166.368964
where:
bonds (distance) C4'-P energy: -41.336
bonds (distance) P-C4' energy: -47.169
flat angles C4'-P-C4' energy: -43.916
flat angles P-C4'-P energy: -23.758
tors. eta vs tors. theta energy: -10.190
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: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -245.448332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.448332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.448332 (E_RNA)
where:
Base-Base interactions energy: -109.898
where: short stacking energy: -80.388
Base-Backbone interact. energy: 0.364
local terms energy: -135.914837
where:
bonds (distance) C4'-P energy: -32.999
bonds (distance) P-C4' energy: -46.522
flat angles C4'-P-C4' energy: -29.434
flat angles P-C4'-P energy: -23.989
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -933.271998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.271998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.271998 (E_RNA)
where:
Base-Base interactions energy: -661.781
where: short stacking energy: -269.805
Base-Backbone interact. energy: -1.719
local terms energy: -269.771738
where:
bonds (distance) C4'-P energy: -43.733
bonds (distance) P-C4' energy: -53.888
flat angles C4'-P-C4' energy: -55.239
flat angles P-C4'-P energy: -38.142
tors. eta vs tors. theta energy: -78.771
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: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -924.064875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.064875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.064875 (E_RNA)
where:
Base-Base interactions energy: -638.212
where: short stacking energy: -263.178
Base-Backbone interact. energy: -2.138
local terms energy: -283.714895
where:
bonds (distance) C4'-P energy: -48.519
bonds (distance) P-C4' energy: -57.421
flat angles C4'-P-C4' energy: -59.595
flat angles P-C4'-P energy: -42.799
tors. eta vs tors. theta energy: -75.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -841.501061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.501061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.501061 (E_RNA)
where:
Base-Base interactions energy: -580.427
where: short stacking energy: -259.948
Base-Backbone interact. energy: 1.156
local terms energy: -262.229844
where:
bonds (distance) C4'-P energy: -45.688
bonds (distance) P-C4' energy: -50.148
flat angles C4'-P-C4' energy: -54.045
flat angles P-C4'-P energy: -27.262
tors. eta vs tors. theta energy: -85.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -828.445858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.445858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.445858 (E_RNA)
where:
Base-Base interactions energy: -577.176
where: short stacking energy: -248.509
Base-Backbone interact. energy: -1.661
local terms energy: -249.609053
where:
bonds (distance) C4'-P energy: -47.011
bonds (distance) P-C4' energy: -44.591
flat angles C4'-P-C4' energy: -56.585
flat angles P-C4'-P energy: -35.349
tors. eta vs tors. theta energy: -66.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -782.822839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.822839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.822839 (E_RNA)
where:
Base-Base interactions energy: -531.599
where: short stacking energy: -215.509
Base-Backbone interact. energy: -0.039
local terms energy: -251.184707
where:
bonds (distance) C4'-P energy: -49.825
bonds (distance) P-C4' energy: -37.535
flat angles C4'-P-C4' energy: -63.284
flat angles P-C4'-P energy: -41.963
tors. eta vs tors. theta energy: -58.578
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: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -720.211674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.211674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.211674 (E_RNA)
where:
Base-Base interactions energy: -474.224
where: short stacking energy: -208.100
Base-Backbone interact. energy: -1.292
local terms energy: -244.696532
where:
bonds (distance) C4'-P energy: -52.117
bonds (distance) P-C4' energy: -49.687
flat angles C4'-P-C4' energy: -50.554
flat angles P-C4'-P energy: -42.800
tors. eta vs tors. theta energy: -49.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -505.430467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.430467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.430467 (E_RNA)
where:
Base-Base interactions energy: -303.388
where: short stacking energy: -163.195
Base-Backbone interact. energy: -1.083
local terms energy: -200.959012
where:
bonds (distance) C4'-P energy: -57.025
bonds (distance) P-C4' energy: -49.846
flat angles C4'-P-C4' energy: -43.006
flat angles P-C4'-P energy: -25.790
tors. eta vs tors. theta energy: -25.292
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: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -457.667214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.667214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.667214 (E_RNA)
where:
Base-Base interactions energy: -252.955
where: short stacking energy: -133.826
Base-Backbone interact. energy: -1.054
local terms energy: -203.658594
where:
bonds (distance) C4'-P energy: -52.461
bonds (distance) P-C4' energy: -37.562
flat angles C4'-P-C4' energy: -51.942
flat angles P-C4'-P energy: -35.340
tors. eta vs tors. theta energy: -26.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -348.891833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.891833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.891833 (E_RNA)
where:
Base-Base interactions energy: -169.456
where: short stacking energy: -108.099
Base-Backbone interact. energy: -0.030
local terms energy: -179.405244
where:
bonds (distance) C4'-P energy: -41.854
bonds (distance) P-C4' energy: -47.199
flat angles C4'-P-C4' energy: -35.456
flat angles P-C4'-P energy: -29.231
tors. eta vs tors. theta energy: -25.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -285.081816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.081816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.081816 (E_RNA)
where:
Base-Base interactions energy: -131.242
where: short stacking energy: -76.138
Base-Backbone interact. energy: -1.244
local terms energy: -152.596599
where:
bonds (distance) C4'-P energy: -40.129
bonds (distance) P-C4' energy: -48.581
flat angles C4'-P-C4' energy: -47.881
flat angles P-C4'-P energy: -28.011
tors. eta vs tors. theta energy: 12.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -939.516376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.516376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.516376 (E_RNA)
where:
Base-Base interactions energy: -646.351
where: short stacking energy: -267.768
Base-Backbone interact. energy: -1.053
local terms energy: -292.112131
where:
bonds (distance) C4'-P energy: -60.833
bonds (distance) P-C4' energy: -54.587
flat angles C4'-P-C4' energy: -54.372
flat angles P-C4'-P energy: -40.642
tors. eta vs tors. theta energy: -81.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -901.675367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.675367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.675367 (E_RNA)
where:
Base-Base interactions energy: -621.334
where: short stacking energy: -243.713
Base-Backbone interact. energy: -1.205
local terms energy: -279.135893
where:
bonds (distance) C4'-P energy: -52.064
bonds (distance) P-C4' energy: -54.579
flat angles C4'-P-C4' energy: -59.220
flat angles P-C4'-P energy: -35.949
tors. eta vs tors. theta energy: -77.324
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: 3, replica: 5
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -868.473631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.473631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.473631 (E_RNA)
where:
Base-Base interactions energy: -614.870
where: short stacking energy: -252.225
Base-Backbone interact. energy: 1.026
local terms energy: -254.629124
where:
bonds (distance) C4'-P energy: -52.107
bonds (distance) P-C4' energy: -48.365
flat angles C4'-P-C4' energy: -53.305
flat angles P-C4'-P energy: -27.630
tors. eta vs tors. theta energy: -73.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -816.401603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.401603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.401603 (E_RNA)
where:
Base-Base interactions energy: -557.377
where: short stacking energy: -240.785
Base-Backbone interact. energy: -1.991
local terms energy: -257.033637
where:
bonds (distance) C4'-P energy: -47.633
bonds (distance) P-C4' energy: -51.978
flat angles C4'-P-C4' energy: -54.957
flat angles P-C4'-P energy: -35.894
tors. eta vs tors. theta energy: -66.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -789.167659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.167659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.167659 (E_RNA)
where:
Base-Base interactions energy: -531.479
where: short stacking energy: -228.755
Base-Backbone interact. energy: -0.636
local terms energy: -257.052108
where:
bonds (distance) C4'-P energy: -49.146
bonds (distance) P-C4' energy: -49.441
flat angles C4'-P-C4' energy: -55.564
flat angles P-C4'-P energy: -34.665
tors. eta vs tors. theta energy: -68.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -696.143724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.143724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.143724 (E_RNA)
where:
Base-Base interactions energy: -492.431
where: short stacking energy: -196.992
Base-Backbone interact. energy: -0.306
local terms energy: -203.406460
where:
bonds (distance) C4'-P energy: -41.188
bonds (distance) P-C4' energy: -34.540
flat angles C4'-P-C4' energy: -54.635
flat angles P-C4'-P energy: -31.654
tors. eta vs tors. theta energy: -41.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -486.857181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.857181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.857181 (E_RNA)
where:
Base-Base interactions energy: -284.180
where: short stacking energy: -154.019
Base-Backbone interact. energy: -0.285
local terms energy: -202.392416
where:
bonds (distance) C4'-P energy: -40.357
bonds (distance) P-C4' energy: -47.885
flat angles C4'-P-C4' energy: -50.366
flat angles P-C4'-P energy: -28.644
tors. eta vs tors. theta energy: -35.141
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: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -500.299956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.299956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.299956 (E_RNA)
where:
Base-Base interactions energy: -310.759
where: short stacking energy: -134.024
Base-Backbone interact. energy: -0.513
local terms energy: -189.027331
where:
bonds (distance) C4'-P energy: -46.539
bonds (distance) P-C4' energy: -38.266
flat angles C4'-P-C4' energy: -49.981
flat angles P-C4'-P energy: -31.110
tors. eta vs tors. theta energy: -23.131
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: 406
Temperature: 1.300000
Total energy: -311.033616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.033616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.033616 (E_RNA)
where:
Base-Base interactions energy: -157.250
where: short stacking energy: -93.740
Base-Backbone interact. energy: 2.041
local terms energy: -155.824782
where:
bonds (distance) C4'-P energy: -45.054
bonds (distance) P-C4' energy: -48.046
flat angles C4'-P-C4' energy: -44.830
flat angles P-C4'-P energy: -18.311
tors. eta vs tors. theta energy: 0.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -294.283034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.283034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.283034 (E_RNA)
where:
Base-Base interactions energy: -144.504
where: short stacking energy: -94.013
Base-Backbone interact. energy: 3.265
local terms energy: -153.043712
where:
bonds (distance) C4'-P energy: -44.773
bonds (distance) P-C4' energy: -41.370
flat angles C4'-P-C4' energy: -43.706
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -940.181476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.181476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.181476 (E_RNA)
where:
Base-Base interactions energy: -646.677
where: short stacking energy: -267.704
Base-Backbone interact. energy: -0.914
local terms energy: -292.590987
where:
bonds (distance) C4'-P energy: -55.609
bonds (distance) P-C4' energy: -45.247
flat angles C4'-P-C4' energy: -62.178
flat angles P-C4'-P energy: -50.843
tors. eta vs tors. theta energy: -78.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -909.023446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.023446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.023446 (E_RNA)
where:
Base-Base interactions energy: -643.710
where: short stacking energy: -254.443
Base-Backbone interact. energy: -1.236
local terms energy: -264.076965
where:
bonds (distance) C4'-P energy: -49.649
bonds (distance) P-C4' energy: -54.292
flat angles C4'-P-C4' energy: -54.756
flat angles P-C4'-P energy: -31.012
tors. eta vs tors. theta energy: -74.367
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: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -898.389170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.389170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.389170 (E_RNA)
where:
Base-Base interactions energy: -622.858
where: short stacking energy: -278.927
Base-Backbone interact. energy: 2.020
local terms energy: -277.551696
where:
bonds (distance) C4'-P energy: -45.420
bonds (distance) P-C4' energy: -43.563
flat angles C4'-P-C4' energy: -54.754
flat angles P-C4'-P energy: -47.779
tors. eta vs tors. theta energy: -86.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -773.492937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.492937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.492937 (E_RNA)
where:
Base-Base interactions energy: -522.282
where: short stacking energy: -222.956
Base-Backbone interact. energy: -1.393
local terms energy: -249.818255
where:
bonds (distance) C4'-P energy: -46.930
bonds (distance) P-C4' energy: -53.101
flat angles C4'-P-C4' energy: -53.012
flat angles P-C4'-P energy: -34.172
tors. eta vs tors. theta energy: -62.603
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: 407
Temperature: 1.100000
Total energy: -802.568994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.568994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.568994 (E_RNA)
where:
Base-Base interactions energy: -540.099
where: short stacking energy: -231.828
Base-Backbone interact. energy: -1.340
local terms energy: -261.130487
where:
bonds (distance) C4'-P energy: -44.483
bonds (distance) P-C4' energy: -56.844
flat angles C4'-P-C4' energy: -52.725
flat angles P-C4'-P energy: -32.087
tors. eta vs tors. theta energy: -74.992
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: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -698.410456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.410456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.410456 (E_RNA)
where:
Base-Base interactions energy: -473.033
where: short stacking energy: -203.017
Base-Backbone interact. energy: -2.061
local terms energy: -223.317010
where:
bonds (distance) C4'-P energy: -47.579
bonds (distance) P-C4' energy: -44.909
flat angles C4'-P-C4' energy: -46.284
flat angles P-C4'-P energy: -33.772
tors. eta vs tors. theta energy: -50.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -498.104034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.104034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.104034 (E_RNA)
where:
Base-Base interactions energy: -297.072
where: short stacking energy: -157.310
Base-Backbone interact. energy: -1.462
local terms energy: -199.570824
where:
bonds (distance) C4'-P energy: -48.243
bonds (distance) P-C4' energy: -48.953
flat angles C4'-P-C4' energy: -31.707
flat angles P-C4'-P energy: -32.355
tors. eta vs tors. theta energy: -38.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -450.621407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.621407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.621407 (E_RNA)
where:
Base-Base interactions energy: -263.525
where: short stacking energy: -126.379
Base-Backbone interact. energy: -0.750
local terms energy: -186.346528
where:
bonds (distance) C4'-P energy: -43.567
bonds (distance) P-C4' energy: -44.073
flat angles C4'-P-C4' energy: -50.021
flat angles P-C4'-P energy: -30.186
tors. eta vs tors. theta energy: -18.499
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: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -313.722210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.722210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.722210 (E_RNA)
where:
Base-Base interactions energy: -161.865
where: short stacking energy: -95.541
Base-Backbone interact. energy: 1.715
local terms energy: -153.572534
where:
bonds (distance) C4'-P energy: -48.637
bonds (distance) P-C4' energy: -37.866
flat angles C4'-P-C4' energy: -38.756
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -11.018
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: 407
Temperature: 1.350000
Total energy: -328.366194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.366194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.366194 (E_RNA)
where:
Base-Base interactions energy: -160.381
where: short stacking energy: -74.656
Base-Backbone interact. energy: -0.968
local terms energy: -167.016852
where:
bonds (distance) C4'-P energy: -47.534
bonds (distance) P-C4' energy: -52.167
flat angles C4'-P-C4' energy: -42.048
flat angles P-C4'-P energy: -21.816
tors. eta vs tors. theta energy: -3.452
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: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -945.478422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.478422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.478422 (E_RNA)
where:
Base-Base interactions energy: -656.030
where: short stacking energy: -260.180
Base-Backbone interact. energy: -1.351
local terms energy: -288.096945
where:
bonds (distance) C4'-P energy: -54.412
bonds (distance) P-C4' energy: -53.314
flat angles C4'-P-C4' energy: -59.477
flat angles P-C4'-P energy: -40.919
tors. eta vs tors. theta energy: -79.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -915.834189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.834189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.834189 (E_RNA)
where:
Base-Base interactions energy: -644.491
where: short stacking energy: -259.888
Base-Backbone interact. energy: 0.110
local terms energy: -271.453673
where:
bonds (distance) C4'-P energy: -43.028
bonds (distance) P-C4' energy: -61.404
flat angles C4'-P-C4' energy: -58.802
flat angles P-C4'-P energy: -37.910
tors. eta vs tors. theta energy: -70.310
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: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -875.690771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.690771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.690771 (E_RNA)
where:
Base-Base interactions energy: -610.724
where: short stacking energy: -254.484
Base-Backbone interact. energy: -1.241
local terms energy: -263.725741
where:
bonds (distance) C4'-P energy: -57.713
bonds (distance) P-C4' energy: -41.940
flat angles C4'-P-C4' energy: -60.171
flat angles P-C4'-P energy: -26.216
tors. eta vs tors. theta energy: -77.686
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: 4, replica: 6
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -807.707860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.707860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.707860 (E_RNA)
where:
Base-Base interactions energy: -536.619
where: short stacking energy: -238.146
Base-Backbone interact. energy: 0.848
local terms energy: -271.937075
where:
bonds (distance) C4'-P energy: -62.967
bonds (distance) P-C4' energy: -52.795
flat angles C4'-P-C4' energy: -50.190
flat angles P-C4'-P energy: -38.671
tors. eta vs tors. theta energy: -67.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -834.732734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.732734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.732734 (E_RNA)
where:
Base-Base interactions energy: -570.249
where: short stacking energy: -249.201
Base-Backbone interact. energy: -2.802
local terms energy: -261.682540
where:
bonds (distance) C4'-P energy: -43.490
bonds (distance) P-C4' energy: -39.791
flat angles C4'-P-C4' energy: -54.676
flat angles P-C4'-P energy: -42.915
tors. eta vs tors. theta energy: -80.812
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: 10
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -728.311006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.311006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.311006 (E_RNA)
where:
Base-Base interactions energy: -504.143
where: short stacking energy: -224.606
Base-Backbone interact. energy: -0.862
local terms energy: -223.306316
where:
bonds (distance) C4'-P energy: -38.709
bonds (distance) P-C4' energy: -48.394
flat angles C4'-P-C4' energy: -55.976
flat angles P-C4'-P energy: -26.973
tors. eta vs tors. theta energy: -53.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -512.717975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.717975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.717975 (E_RNA)
where:
Base-Base interactions energy: -310.856
where: short stacking energy: -156.067
Base-Backbone interact. energy: 2.893
local terms energy: -204.755031
where:
bonds (distance) C4'-P energy: -45.696
bonds (distance) P-C4' energy: -47.931
flat angles C4'-P-C4' energy: -45.297
flat angles P-C4'-P energy: -28.735
tors. eta vs tors. theta energy: -37.096
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: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -471.643743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.643743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.643743 (E_RNA)
where:
Base-Base interactions energy: -283.310
where: short stacking energy: -144.882
Base-Backbone interact. energy: -0.472
local terms energy: -187.861327
where:
bonds (distance) C4'-P energy: -48.120
bonds (distance) P-C4' energy: -44.299
flat angles C4'-P-C4' energy: -41.982
flat angles P-C4'-P energy: -28.091
tors. eta vs tors. theta energy: -25.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -335.030363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.030363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.030363 (E_RNA)
where:
Base-Base interactions energy: -175.428
where: short stacking energy: -109.188
Base-Backbone interact. energy: -0.737
local terms energy: -158.864638
where:
bonds (distance) C4'-P energy: -34.784
bonds (distance) P-C4' energy: -46.028
flat angles C4'-P-C4' energy: -52.470
flat angles P-C4'-P energy: -23.302
tors. eta vs tors. theta energy: -2.280
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: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -283.437601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.437601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.437601 (E_RNA)
where:
Base-Base interactions energy: -119.391
where: short stacking energy: -75.516
Base-Backbone interact. energy: -1.145
local terms energy: -162.900902
where:
bonds (distance) C4'-P energy: -51.916
bonds (distance) P-C4' energy: -56.680
flat angles C4'-P-C4' energy: -30.230
flat angles P-C4'-P energy: -21.043
tors. eta vs tors. theta energy: -3.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -943.372104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.372104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.372104 (E_RNA)
where:
Base-Base interactions energy: -648.096
where: short stacking energy: -263.142
Base-Backbone interact. energy: -2.116
local terms energy: -293.159545
where:
bonds (distance) C4'-P energy: -57.265
bonds (distance) P-C4' energy: -56.728
flat angles C4'-P-C4' energy: -59.354
flat angles P-C4'-P energy: -39.362
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: 2, replica: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -893.870457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.870457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.870457 (E_RNA)
where:
Base-Base interactions energy: -633.715
where: short stacking energy: -262.689
Base-Backbone interact. energy: -0.642
local terms energy: -259.513421
where:
bonds (distance) C4'-P energy: -42.749
bonds (distance) P-C4' energy: -46.906
flat angles C4'-P-C4' energy: -60.400
flat angles P-C4'-P energy: -35.381
tors. eta vs tors. theta energy: -74.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -877.061092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.061092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.061092 (E_RNA)
where:
Base-Base interactions energy: -621.737
where: short stacking energy: -258.513
Base-Backbone interact. energy: -0.325
local terms energy: -254.999533
where:
bonds (distance) C4'-P energy: -49.364
bonds (distance) P-C4' energy: -48.426
flat angles C4'-P-C4' energy: -51.718
flat angles P-C4'-P energy: -33.128
tors. eta vs tors. theta energy: -72.363
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: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -849.808460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.808460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.808460 (E_RNA)
where:
Base-Base interactions energy: -579.909
where: short stacking energy: -237.928
Base-Backbone interact. energy: -0.863
local terms energy: -269.036515
where:
bonds (distance) C4'-P energy: -55.924
bonds (distance) P-C4' energy: -51.054
flat angles C4'-P-C4' energy: -50.005
flat angles P-C4'-P energy: -40.113
tors. eta vs tors. theta energy: -71.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -781.752767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.752767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.752767 (E_RNA)
where:
Base-Base interactions energy: -521.200
where: short stacking energy: -243.881
Base-Backbone interact. energy: -1.893
local terms energy: -258.659476
where:
bonds (distance) C4'-P energy: -50.963
bonds (distance) P-C4' energy: -49.533
flat angles C4'-P-C4' energy: -54.096
flat angles P-C4'-P energy: -32.474
tors. eta vs tors. theta energy: -71.594
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: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -686.377302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.377302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.377302 (E_RNA)
where:
Base-Base interactions energy: -461.376
where: short stacking energy: -197.763
Base-Backbone interact. energy: -0.067
local terms energy: -224.934122
where:
bonds (distance) C4'-P energy: -48.920
bonds (distance) P-C4' energy: -46.820
flat angles C4'-P-C4' energy: -46.795
flat angles P-C4'-P energy: -43.706
tors. eta vs tors. theta energy: -38.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -502.813886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.813886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.813886 (E_RNA)
where:
Base-Base interactions energy: -304.430
where: short stacking energy: -149.134
Base-Backbone interact. energy: -0.329
local terms energy: -198.054694
where:
bonds (distance) C4'-P energy: -53.648
bonds (distance) P-C4' energy: -48.144
flat angles C4'-P-C4' energy: -47.780
flat angles P-C4'-P energy: -20.300
tors. eta vs tors. theta energy: -28.182
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: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -475.273326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.273326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.273326 (E_RNA)
where:
Base-Base interactions energy: -287.234
where: short stacking energy: -143.250
Base-Backbone interact. energy: -0.751
local terms energy: -187.288449
where:
bonds (distance) C4'-P energy: -33.985
bonds (distance) P-C4' energy: -48.442
flat angles C4'-P-C4' energy: -45.603
flat angles P-C4'-P energy: -23.283
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: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -340.025899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.025899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.025899 (E_RNA)
where:
Base-Base interactions energy: -183.185
where: short stacking energy: -94.836
Base-Backbone interact. energy: 1.840
local terms energy: -158.680064
where:
bonds (distance) C4'-P energy: -50.736
bonds (distance) P-C4' energy: -49.129
flat angles C4'-P-C4' energy: -33.357
flat angles P-C4'-P energy: -20.069
tors. eta vs tors. theta energy: -5.389
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: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -294.802192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.802192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.802192 (E_RNA)
where:
Base-Base interactions energy: -130.490
where: short stacking energy: -71.383
Base-Backbone interact. energy: -1.514
local terms energy: -162.797959
where:
bonds (distance) C4'-P energy: -44.134
bonds (distance) P-C4' energy: -49.526
flat angles C4'-P-C4' energy: -43.323
flat angles P-C4'-P energy: -26.767
tors. eta vs tors. theta energy: 0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -939.454331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.454331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.454331 (E_RNA)
where:
Base-Base interactions energy: -658.435
where: short stacking energy: -264.050
Base-Backbone interact. energy: -0.404
local terms energy: -280.615041
where:
bonds (distance) C4'-P energy: -55.542
bonds (distance) P-C4' energy: -50.123
flat angles C4'-P-C4' energy: -60.009
flat angles P-C4'-P energy: -35.216
tors. eta vs tors. theta energy: -79.725
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: 410
Temperature: 0.950000
Total energy: -894.638052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.638052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.638052 (E_RNA)
where:
Base-Base interactions energy: -619.544
where: short stacking energy: -259.983
Base-Backbone interact. energy: 0.417
local terms energy: -275.510583
where:
bonds (distance) C4'-P energy: -53.372
bonds (distance) P-C4' energy: -51.965
flat angles C4'-P-C4' energy: -61.395
flat angles P-C4'-P energy: -29.783
tors. eta vs tors. theta energy: -78.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -850.087574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.087574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.087574 (E_RNA)
where:
Base-Base interactions energy: -573.606
where: short stacking energy: -234.289
Base-Backbone interact. energy: 0.277
local terms energy: -276.758827
where:
bonds (distance) C4'-P energy: -50.642
bonds (distance) P-C4' energy: -57.100
flat angles C4'-P-C4' energy: -51.961
flat angles P-C4'-P energy: -45.268
tors. eta vs tors. theta energy: -71.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -861.153033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.153033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.153033 (E_RNA)
where:
Base-Base interactions energy: -600.118
where: short stacking energy: -231.095
Base-Backbone interact. energy: -0.713
local terms energy: -260.321838
where:
bonds (distance) C4'-P energy: -43.522
bonds (distance) P-C4' energy: -56.395
flat angles C4'-P-C4' energy: -48.270
flat angles P-C4'-P energy: -38.973
tors. eta vs tors. theta energy: -73.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -782.074685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.074685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.074685 (E_RNA)
where:
Base-Base interactions energy: -519.112
where: short stacking energy: -230.633
Base-Backbone interact. energy: -1.512
local terms energy: -261.451068
where:
bonds (distance) C4'-P energy: -48.179
bonds (distance) P-C4' energy: -43.020
flat angles C4'-P-C4' energy: -61.872
flat angles P-C4'-P energy: -36.377
tors. eta vs tors. theta energy: -72.003
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: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -746.605896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.605896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.605896 (E_RNA)
where:
Base-Base interactions energy: -521.934
where: short stacking energy: -217.198
Base-Backbone interact. energy: -0.108
local terms energy: -224.563900
where:
bonds (distance) C4'-P energy: -44.403
bonds (distance) P-C4' energy: -40.353
flat angles C4'-P-C4' energy: -48.975
flat angles P-C4'-P energy: -35.938
tors. eta vs tors. theta energy: -54.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -490.427370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.427370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.427370 (E_RNA)
where:
Base-Base interactions energy: -310.255
where: short stacking energy: -138.353
Base-Backbone interact. energy: -0.885
local terms energy: -179.287344
where:
bonds (distance) C4'-P energy: -41.815
bonds (distance) P-C4' energy: -43.832
flat angles C4'-P-C4' energy: -44.355
flat angles P-C4'-P energy: -26.387
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: 8, replica: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -471.402265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.402265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.402265 (E_RNA)
where:
Base-Base interactions energy: -262.037
where: short stacking energy: -139.279
Base-Backbone interact. energy: -0.594
local terms energy: -208.770467
where:
bonds (distance) C4'-P energy: -45.752
bonds (distance) P-C4' energy: -48.478
flat angles C4'-P-C4' energy: -57.271
flat angles P-C4'-P energy: -34.179
tors. eta vs tors. theta energy: -23.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -298.140649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.140649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.140649 (E_RNA)
where:
Base-Base interactions energy: -138.928
where: short stacking energy: -100.263
Base-Backbone interact. energy: -1.644
local terms energy: -157.568007
where:
bonds (distance) C4'-P energy: -35.185
bonds (distance) P-C4' energy: -47.826
flat angles C4'-P-C4' energy: -34.341
flat angles P-C4'-P energy: -29.540
tors. eta vs tors. theta energy: -10.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -294.583653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.583653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.583653 (E_RNA)
where:
Base-Base interactions energy: -139.335
where: short stacking energy: -87.106
Base-Backbone interact. energy: 1.279
local terms energy: -156.526787
where:
bonds (distance) C4'-P energy: -54.064
bonds (distance) P-C4' energy: -48.564
flat angles C4'-P-C4' energy: -46.981
flat angles P-C4'-P energy: -18.004
tors. eta vs tors. theta energy: 11.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -930.409196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.409196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.409196 (E_RNA)
where:
Base-Base interactions energy: -637.150
where: short stacking energy: -265.341
Base-Backbone interact. energy: -3.395
local terms energy: -289.864356
where:
bonds (distance) C4'-P energy: -53.883
bonds (distance) P-C4' energy: -53.740
flat angles C4'-P-C4' energy: -61.863
flat angles P-C4'-P energy: -41.932
tors. eta vs tors. theta energy: -78.446
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: 1
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -905.303407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.303407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.303407 (E_RNA)
where:
Base-Base interactions energy: -624.781
where: short stacking energy: -265.717
Base-Backbone interact. energy: -0.283
local terms energy: -280.238704
where:
bonds (distance) C4'-P energy: -51.068
bonds (distance) P-C4' energy: -48.402
flat angles C4'-P-C4' energy: -61.049
flat angles P-C4'-P energy: -38.181
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: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -843.149451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.149451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.149451 (E_RNA)
where:
Base-Base interactions energy: -591.238
where: short stacking energy: -247.192
Base-Backbone interact. energy: -1.477
local terms energy: -250.433991
where:
bonds (distance) C4'-P energy: -36.142
bonds (distance) P-C4' energy: -46.668
flat angles C4'-P-C4' energy: -56.530
flat angles P-C4'-P energy: -41.026
tors. eta vs tors. theta energy: -70.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -830.159666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.159666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.159666 (E_RNA)
where:
Base-Base interactions energy: -574.591
where: short stacking energy: -237.102
Base-Backbone interact. energy: 0.651
local terms energy: -256.219590
where:
bonds (distance) C4'-P energy: -40.300
bonds (distance) P-C4' energy: -52.758
flat angles C4'-P-C4' energy: -52.307
flat angles P-C4'-P energy: -44.920
tors. eta vs tors. theta energy: -65.934
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: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -747.286988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.286988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.286988 (E_RNA)
where:
Base-Base interactions energy: -517.285
where: short stacking energy: -216.109
Base-Backbone interact. energy: -0.024
local terms energy: -229.978221
where:
bonds (distance) C4'-P energy: -46.748
bonds (distance) P-C4' energy: -34.374
flat angles C4'-P-C4' energy: -51.543
flat angles P-C4'-P energy: -30.942
tors. eta vs tors. theta energy: -66.371
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: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -727.174543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.174543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.174543 (E_RNA)
where:
Base-Base interactions energy: -485.803
where: short stacking energy: -207.082
Base-Backbone interact. energy: -0.943
local terms energy: -240.428544
where:
bonds (distance) C4'-P energy: -51.584
bonds (distance) P-C4' energy: -46.685
flat angles C4'-P-C4' energy: -54.274
flat angles P-C4'-P energy: -34.798
tors. eta vs tors. theta energy: -53.087
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: 411
Temperature: 1.200000
Total energy: -544.123740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.123740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.123740 (E_RNA)
where:
Base-Base interactions energy: -343.134
where: short stacking energy: -147.157
Base-Backbone interact. energy: -3.034
local terms energy: -197.955705
where:
bonds (distance) C4'-P energy: -47.943
bonds (distance) P-C4' energy: -48.772
flat angles C4'-P-C4' energy: -44.624
flat angles P-C4'-P energy: -23.942
tors. eta vs tors. theta energy: -32.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -475.444774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.444774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.444774 (E_RNA)
where:
Base-Base interactions energy: -287.326
where: short stacking energy: -136.700
Base-Backbone interact. energy: -0.936
local terms energy: -187.183155
where:
bonds (distance) C4'-P energy: -46.236
bonds (distance) P-C4' energy: -48.100
flat angles C4'-P-C4' energy: -42.596
flat angles P-C4'-P energy: -19.527
tors. eta vs tors. theta energy: -30.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -288.772228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.772228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.772228 (E_RNA)
where:
Base-Base interactions energy: -140.621
where: short stacking energy: -74.966
Base-Backbone interact. energy: -1.024
local terms energy: -147.127255
where:
bonds (distance) C4'-P energy: -44.444
bonds (distance) P-C4' energy: -43.267
flat angles C4'-P-C4' energy: -41.013
flat angles P-C4'-P energy: -25.383
tors. eta vs tors. theta energy: 6.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -223.588197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.588197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.588197 (E_RNA)
where:
Base-Base interactions energy: -61.807
where: short stacking energy: -49.948
Base-Backbone interact. energy: -0.295
local terms energy: -161.485655
where:
bonds (distance) C4'-P energy: -48.799
bonds (distance) P-C4' energy: -54.015
flat angles C4'-P-C4' energy: -42.443
flat angles P-C4'-P energy: -24.072
tors. eta vs tors. theta energy: 7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -940.282647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.282647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.282647 (E_RNA)
where:
Base-Base interactions energy: -650.621
where: short stacking energy: -275.251
Base-Backbone interact. energy: -3.297
local terms energy: -286.364562
where:
bonds (distance) C4'-P energy: -54.849
bonds (distance) P-C4' energy: -48.969
flat angles C4'-P-C4' energy: -56.762
flat angles P-C4'-P energy: -44.704
tors. eta vs tors. theta energy: -81.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -932.669445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.669445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.669445 (E_RNA)
where:
Base-Base interactions energy: -649.343
where: short stacking energy: -284.695
Base-Backbone interact. energy: -0.802
local terms energy: -282.524802
where:
bonds (distance) C4'-P energy: -51.000
bonds (distance) P-C4' energy: -54.568
flat angles C4'-P-C4' energy: -49.412
flat angles P-C4'-P energy: -41.443
tors. eta vs tors. theta energy: -86.102
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: 5
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -866.578029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.578029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.578029 (E_RNA)
where:
Base-Base interactions energy: -599.646
where: short stacking energy: -253.074
Base-Backbone interact. energy: -0.180
local terms energy: -266.751463
where:
bonds (distance) C4'-P energy: -48.170
bonds (distance) P-C4' energy: -49.265
flat angles C4'-P-C4' energy: -51.383
flat angles P-C4'-P energy: -40.894
tors. eta vs tors. theta energy: -77.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -843.984260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.984260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.984260 (E_RNA)
where:
Base-Base interactions energy: -594.455
where: short stacking energy: -249.352
Base-Backbone interact. energy: -0.552
local terms energy: -248.978051
where:
bonds (distance) C4'-P energy: -41.034
bonds (distance) P-C4' energy: -51.902
flat angles C4'-P-C4' energy: -48.589
flat angles P-C4'-P energy: -34.616
tors. eta vs tors. theta energy: -72.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -746.346589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.346589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.346589 (E_RNA)
where:
Base-Base interactions energy: -496.530
where: short stacking energy: -198.550
Base-Backbone interact. energy: 0.586
local terms energy: -250.402545
where:
bonds (distance) C4'-P energy: -43.299
bonds (distance) P-C4' energy: -52.140
flat angles C4'-P-C4' energy: -56.274
flat angles P-C4'-P energy: -38.713
tors. eta vs tors. theta energy: -59.977
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: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -716.968435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.968435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.968435 (E_RNA)
where:
Base-Base interactions energy: -489.806
where: short stacking energy: -201.808
Base-Backbone interact. energy: 1.458
local terms energy: -228.620684
where:
bonds (distance) C4'-P energy: -36.200
bonds (distance) P-C4' energy: -49.099
flat angles C4'-P-C4' energy: -57.807
flat angles P-C4'-P energy: -33.891
tors. eta vs tors. theta energy: -51.623
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: 412
Temperature: 1.200000
Total energy: -525.489156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.489156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.489156 (E_RNA)
where:
Base-Base interactions energy: -329.590
where: short stacking energy: -151.440
Base-Backbone interact. energy: 0.510
local terms energy: -196.409561
where:
bonds (distance) C4'-P energy: -39.955
bonds (distance) P-C4' energy: -48.450
flat angles C4'-P-C4' energy: -42.700
flat angles P-C4'-P energy: -33.893
tors. eta vs tors. theta energy: -31.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -457.956567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.956567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.956567 (E_RNA)
where:
Base-Base interactions energy: -289.109
where: short stacking energy: -128.218
Base-Backbone interact. energy: 1.175
local terms energy: -170.022218
where:
bonds (distance) C4'-P energy: -45.666
bonds (distance) P-C4' energy: -47.328
flat angles C4'-P-C4' energy: -30.963
flat angles P-C4'-P energy: -20.645
tors. eta vs tors. theta energy: -25.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -302.515959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.515959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.515959 (E_RNA)
where:
Base-Base interactions energy: -146.334
where: short stacking energy: -62.889
Base-Backbone interact. energy: -1.295
local terms energy: -154.886236
where:
bonds (distance) C4'-P energy: -55.311
bonds (distance) P-C4' energy: -54.416
flat angles C4'-P-C4' energy: -34.543
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: 4.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -253.107818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.107818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.107818 (E_RNA)
where:
Base-Base interactions energy: -80.626
where: short stacking energy: -78.900
Base-Backbone interact. energy: -0.592
local terms energy: -171.890428
where:
bonds (distance) C4'-P energy: -51.486
bonds (distance) P-C4' energy: -51.021
flat angles C4'-P-C4' energy: -41.034
flat angles P-C4'-P energy: -29.473
tors. eta vs tors. theta energy: 1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -920.115466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.115466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.115466 (E_RNA)
where:
Base-Base interactions energy: -647.481
where: short stacking energy: -253.957
Base-Backbone interact. energy: -1.822
local terms energy: -270.813224
where:
bonds (distance) C4'-P energy: -51.675
bonds (distance) P-C4' energy: -48.949
flat angles C4'-P-C4' energy: -59.772
flat angles P-C4'-P energy: -37.996
tors. eta vs tors. theta energy: -72.421
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: 413
Temperature: 0.950000
Total energy: -883.634915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.634915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.634915 (E_RNA)
where:
Base-Base interactions energy: -596.659
where: short stacking energy: -256.005
Base-Backbone interact. energy: -1.937
local terms energy: -285.039115
where:
bonds (distance) C4'-P energy: -50.654
bonds (distance) P-C4' energy: -55.213
flat angles C4'-P-C4' energy: -62.881
flat angles P-C4'-P energy: -37.164
tors. eta vs tors. theta energy: -79.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -908.319451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.319451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.319451 (E_RNA)
where:
Base-Base interactions energy: -625.976
where: short stacking energy: -265.746
Base-Backbone interact. energy: -0.666
local terms energy: -281.677217
where:
bonds (distance) C4'-P energy: -47.375
bonds (distance) P-C4' energy: -52.194
flat angles C4'-P-C4' energy: -61.383
flat angles P-C4'-P energy: -41.821
tors. eta vs tors. theta energy: -78.904
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: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -845.062727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.062727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.062727 (E_RNA)
where:
Base-Base interactions energy: -592.488
where: short stacking energy: -239.237
Base-Backbone interact. energy: -2.008
local terms energy: -250.566516
where:
bonds (distance) C4'-P energy: -40.009
bonds (distance) P-C4' energy: -56.417
flat angles C4'-P-C4' energy: -54.265
flat angles P-C4'-P energy: -32.127
tors. eta vs tors. theta energy: -67.749
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: 5, replica: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -776.085522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.085522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.085522 (E_RNA)
where:
Base-Base interactions energy: -510.395
where: short stacking energy: -207.318
Base-Backbone interact. energy: -1.213
local terms energy: -264.477714
where:
bonds (distance) C4'-P energy: -53.222
bonds (distance) P-C4' energy: -59.957
flat angles C4'-P-C4' energy: -56.253
flat angles P-C4'-P energy: -32.246
tors. eta vs tors. theta energy: -62.800
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: 10
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -724.904136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.904136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.904136 (E_RNA)
where:
Base-Base interactions energy: -493.806
where: short stacking energy: -210.903
Base-Backbone interact. energy: -0.663
local terms energy: -230.435474
where:
bonds (distance) C4'-P energy: -48.286
bonds (distance) P-C4' energy: -44.131
flat angles C4'-P-C4' energy: -51.112
flat angles P-C4'-P energy: -37.782
tors. eta vs tors. theta energy: -49.124
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: 413
Temperature: 1.200000
Total energy: -539.953753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.953753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.953753 (E_RNA)
where:
Base-Base interactions energy: -341.795
where: short stacking energy: -170.247
Base-Backbone interact. energy: 0.878
local terms energy: -199.036362
where:
bonds (distance) C4'-P energy: -51.796
bonds (distance) P-C4' energy: -49.073
flat angles C4'-P-C4' energy: -53.218
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -34.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -436.953503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.953503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.953503 (E_RNA)
where:
Base-Base interactions energy: -242.444
where: short stacking energy: -114.907
Base-Backbone interact. energy: 1.451
local terms energy: -195.960245
where:
bonds (distance) C4'-P energy: -47.565
bonds (distance) P-C4' energy: -48.441
flat angles C4'-P-C4' energy: -49.013
flat angles P-C4'-P energy: -29.401
tors. eta vs tors. theta energy: -21.540
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: 8
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -272.617369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.617369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.617369 (E_RNA)
where:
Base-Base interactions energy: -127.570
where: short stacking energy: -67.563
Base-Backbone interact. energy: 0.545
local terms energy: -145.592148
where:
bonds (distance) C4'-P energy: -40.693
bonds (distance) P-C4' energy: -45.502
flat angles C4'-P-C4' energy: -39.086
flat angles P-C4'-P energy: -19.595
tors. eta vs tors. theta energy: -0.716
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: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -259.023390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.023390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.023390 (E_RNA)
where:
Base-Base interactions energy: -105.291
where: short stacking energy: -76.333
Base-Backbone interact. energy: 3.799
local terms energy: -157.531496
where:
bonds (distance) C4'-P energy: -48.533
bonds (distance) P-C4' energy: -44.203
flat angles C4'-P-C4' energy: -28.070
flat angles P-C4'-P energy: -33.386
tors. eta vs tors. theta energy: -3.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -924.346214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.346214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.346214 (E_RNA)
where:
Base-Base interactions energy: -652.892
where: short stacking energy: -248.579
Base-Backbone interact. energy: -0.653
local terms energy: -270.801898
where:
bonds (distance) C4'-P energy: -49.353
bonds (distance) P-C4' energy: -56.738
flat angles C4'-P-C4' energy: -56.438
flat angles P-C4'-P energy: -39.842
tors. eta vs tors. theta energy: -68.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -900.585253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.585253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.585253 (E_RNA)
where:
Base-Base interactions energy: -613.066
where: short stacking energy: -265.227
Base-Backbone interact. energy: -1.714
local terms energy: -285.805411
where:
bonds (distance) C4'-P energy: -54.822
bonds (distance) P-C4' energy: -51.279
flat angles C4'-P-C4' energy: -59.187
flat angles P-C4'-P energy: -39.829
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: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -891.264479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.264479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.264479 (E_RNA)
where:
Base-Base interactions energy: -629.199
where: short stacking energy: -281.340
Base-Backbone interact. energy: -0.048
local terms energy: -262.017281
where:
bonds (distance) C4'-P energy: -46.922
bonds (distance) P-C4' energy: -51.605
flat angles C4'-P-C4' energy: -54.319
flat angles P-C4'-P energy: -27.446
tors. eta vs tors. theta energy: -81.725
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: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -847.523873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.523873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.523873 (E_RNA)
where:
Base-Base interactions energy: -586.332
where: short stacking energy: -243.499
Base-Backbone interact. energy: -3.423
local terms energy: -257.769200
where:
bonds (distance) C4'-P energy: -50.118
bonds (distance) P-C4' energy: -53.768
flat angles C4'-P-C4' energy: -54.890
flat angles P-C4'-P energy: -25.371
tors. eta vs tors. theta energy: -73.622
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: 6
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -777.867012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.867012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.867012 (E_RNA)
where:
Base-Base interactions energy: -528.741
where: short stacking energy: -236.342
Base-Backbone interact. energy: -0.313
local terms energy: -248.812861
where:
bonds (distance) C4'-P energy: -45.857
bonds (distance) P-C4' energy: -47.816
flat angles C4'-P-C4' energy: -50.301
flat angles P-C4'-P energy: -40.409
tors. eta vs tors. theta energy: -64.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -729.395764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.395764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.395764 (E_RNA)
where:
Base-Base interactions energy: -492.095
where: short stacking energy: -220.773
Base-Backbone interact. energy: -1.265
local terms energy: -236.036419
where:
bonds (distance) C4'-P energy: -51.301
bonds (distance) P-C4' energy: -51.254
flat angles C4'-P-C4' energy: -42.185
flat angles P-C4'-P energy: -35.517
tors. eta vs tors. theta energy: -55.779
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: 7
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -513.839946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.839946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.839946 (E_RNA)
where:
Base-Base interactions energy: -313.566
where: short stacking energy: -149.934
Base-Backbone interact. energy: -0.753
local terms energy: -199.521011
where:
bonds (distance) C4'-P energy: -45.917
bonds (distance) P-C4' energy: -52.710
flat angles C4'-P-C4' energy: -39.547
flat angles P-C4'-P energy: -30.328
tors. eta vs tors. theta energy: -31.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -374.026357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.026357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.026357 (E_RNA)
where:
Base-Base interactions energy: -181.649
where: short stacking energy: -104.481
Base-Backbone interact. energy: -0.073
local terms energy: -192.304107
where:
bonds (distance) C4'-P energy: -45.459
bonds (distance) P-C4' energy: -50.374
flat angles C4'-P-C4' energy: -46.052
flat angles P-C4'-P energy: -30.213
tors. eta vs tors. theta energy: -20.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -303.812053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.812053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.812053 (E_RNA)
where:
Base-Base interactions energy: -140.710
where: short stacking energy: -89.125
Base-Backbone interact. energy: -1.926
local terms energy: -161.176394
where:
bonds (distance) C4'-P energy: -56.793
bonds (distance) P-C4' energy: -51.819
flat angles C4'-P-C4' energy: -39.230
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: 0.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -226.507509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.507509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.507509 (E_RNA)
where:
Base-Base interactions energy: -85.881
where: short stacking energy: -69.759
Base-Backbone interact. energy: -0.115
local terms energy: -140.511418
where:
bonds (distance) C4'-P energy: -40.232
bonds (distance) P-C4' energy: -39.874
flat angles C4'-P-C4' energy: -39.946
flat angles P-C4'-P energy: -25.755
tors. eta vs tors. theta energy: 5.296
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: 1, replica: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -919.754313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.754313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.754313 (E_RNA)
where:
Base-Base interactions energy: -635.887
where: short stacking energy: -258.180
Base-Backbone interact. energy: -1.908
local terms energy: -281.959401
where:
bonds (distance) C4'-P energy: -46.448
bonds (distance) P-C4' energy: -53.020
flat angles C4'-P-C4' energy: -63.446
flat angles P-C4'-P energy: -44.708
tors. eta vs tors. theta energy: -74.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -914.399059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.399059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.399059 (E_RNA)
where:
Base-Base interactions energy: -629.307
where: short stacking energy: -263.740
Base-Backbone interact. energy: -1.703
local terms energy: -283.388791
where:
bonds (distance) C4'-P energy: -53.533
bonds (distance) P-C4' energy: -56.844
flat angles C4'-P-C4' energy: -56.559
flat angles P-C4'-P energy: -38.451
tors. eta vs tors. theta energy: -78.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -870.617340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.617340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.617340 (E_RNA)
where:
Base-Base interactions energy: -604.685
where: short stacking energy: -265.326
Base-Backbone interact. energy: -1.086
local terms energy: -264.846437
where:
bonds (distance) C4'-P energy: -42.391
bonds (distance) P-C4' energy: -54.488
flat angles C4'-P-C4' energy: -54.734
flat angles P-C4'-P energy: -41.318
tors. eta vs tors. theta energy: -71.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -854.552615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.552615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.552615 (E_RNA)
where:
Base-Base interactions energy: -584.451
where: short stacking energy: -252.455
Base-Backbone interact. energy: -2.528
local terms energy: -267.572925
where:
bonds (distance) C4'-P energy: -38.762
bonds (distance) P-C4' energy: -49.486
flat angles C4'-P-C4' energy: -58.696
flat angles P-C4'-P energy: -39.261
tors. eta vs tors. theta energy: -81.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -779.427337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.427337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.427337 (E_RNA)
where:
Base-Base interactions energy: -534.644
where: short stacking energy: -233.858
Base-Backbone interact. energy: 0.545
local terms energy: -245.327823
where:
bonds (distance) C4'-P energy: -49.183
bonds (distance) P-C4' energy: -27.830
flat angles C4'-P-C4' energy: -61.818
flat angles P-C4'-P energy: -37.345
tors. eta vs tors. theta energy: -69.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -747.962844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.962844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.962844 (E_RNA)
where:
Base-Base interactions energy: -511.434
where: short stacking energy: -212.048
Base-Backbone interact. energy: 0.699
local terms energy: -237.227691
where:
bonds (distance) C4'-P energy: -46.211
bonds (distance) P-C4' energy: -47.562
flat angles C4'-P-C4' energy: -47.484
flat angles P-C4'-P energy: -41.804
tors. eta vs tors. theta energy: -54.166
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: 415
Temperature: 1.200000
Total energy: -525.014581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.014581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.014581 (E_RNA)
where:
Base-Base interactions energy: -299.342
where: short stacking energy: -151.223
Base-Backbone interact. energy: -0.303
local terms energy: -225.369778
where:
bonds (distance) C4'-P energy: -55.665
bonds (distance) P-C4' energy: -51.939
flat angles C4'-P-C4' energy: -45.472
flat angles P-C4'-P energy: -39.740
tors. eta vs tors. theta energy: -32.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -318.523911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.523911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.523911 (E_RNA)
where:
Base-Base interactions energy: -156.516
where: short stacking energy: -102.932
Base-Backbone interact. energy: 0.322
local terms energy: -162.329648
where:
bonds (distance) C4'-P energy: -40.580
bonds (distance) P-C4' energy: -44.169
flat angles C4'-P-C4' energy: -32.991
flat angles P-C4'-P energy: -31.279
tors. eta vs tors. theta energy: -13.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -312.125150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.125150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.125150 (E_RNA)
where:
Base-Base interactions energy: -142.918
where: short stacking energy: -90.148
Base-Backbone interact. energy: 1.929
local terms energy: -171.135833
where:
bonds (distance) C4'-P energy: -44.403
bonds (distance) P-C4' energy: -54.296
flat angles C4'-P-C4' energy: -39.902
flat angles P-C4'-P energy: -33.719
tors. eta vs tors. theta energy: 1.184
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: 10, replica: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -211.679511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.679511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.679511 (E_RNA)
where:
Base-Base interactions energy: -71.089
where: short stacking energy: -56.314
Base-Backbone interact. energy: -0.618
local terms energy: -139.972799
where:
bonds (distance) C4'-P energy: -33.658
bonds (distance) P-C4' energy: -42.142
flat angles C4'-P-C4' energy: -48.344
flat angles P-C4'-P energy: -25.876
tors. eta vs tors. theta energy: 10.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -933.572733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.572733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.572733 (E_RNA)
where:
Base-Base interactions energy: -648.580
where: short stacking energy: -284.434
Base-Backbone interact. energy: -1.679
local terms energy: -283.313073
where:
bonds (distance) C4'-P energy: -45.072
bonds (distance) P-C4' energy: -53.613
flat angles C4'-P-C4' energy: -62.645
flat angles P-C4'-P energy: -38.859
tors. eta vs tors. theta energy: -83.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -916.838307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.838307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.838307 (E_RNA)
where:
Base-Base interactions energy: -634.596
where: short stacking energy: -268.274
Base-Backbone interact. energy: 0.083
local terms energy: -282.324766
where:
bonds (distance) C4'-P energy: -51.383
bonds (distance) P-C4' energy: -48.959
flat angles C4'-P-C4' energy: -57.986
flat angles P-C4'-P energy: -40.445
tors. eta vs tors. theta energy: -83.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -865.663022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.663022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.663022 (E_RNA)
where:
Base-Base interactions energy: -574.650
where: short stacking energy: -239.192
Base-Backbone interact. energy: -2.791
local terms energy: -288.222378
where:
bonds (distance) C4'-P energy: -55.750
bonds (distance) P-C4' energy: -58.740
flat angles C4'-P-C4' energy: -61.403
flat angles P-C4'-P energy: -46.146
tors. eta vs tors. theta energy: -66.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -853.416282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.416282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.416282 (E_RNA)
where:
Base-Base interactions energy: -568.306
where: short stacking energy: -238.901
Base-Backbone interact. energy: -2.959
local terms energy: -282.151916
where:
bonds (distance) C4'-P energy: -58.622
bonds (distance) P-C4' energy: -54.628
flat angles C4'-P-C4' energy: -55.229
flat angles P-C4'-P energy: -37.778
tors. eta vs tors. theta energy: -75.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -791.348251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.348251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.348251 (E_RNA)
where:
Base-Base interactions energy: -522.661
where: short stacking energy: -207.244
Base-Backbone interact. energy: -0.441
local terms energy: -268.246813
where:
bonds (distance) C4'-P energy: -48.742
bonds (distance) P-C4' energy: -55.554
flat angles C4'-P-C4' energy: -65.926
flat angles P-C4'-P energy: -43.828
tors. eta vs tors. theta energy: -54.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -750.040447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.040447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.040447 (E_RNA)
where:
Base-Base interactions energy: -500.371
where: short stacking energy: -210.407
Base-Backbone interact. energy: 0.287
local terms energy: -249.956674
where:
bonds (distance) C4'-P energy: -46.817
bonds (distance) P-C4' energy: -56.755
flat angles C4'-P-C4' energy: -46.945
flat angles P-C4'-P energy: -32.797
tors. eta vs tors. theta energy: -66.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -552.914397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.914397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.914397 (E_RNA)
where:
Base-Base interactions energy: -344.598
where: short stacking energy: -165.010
Base-Backbone interact. energy: -1.362
local terms energy: -206.954556
where:
bonds (distance) C4'-P energy: -50.092
bonds (distance) P-C4' energy: -40.800
flat angles C4'-P-C4' energy: -42.814
flat angles P-C4'-P energy: -33.191
tors. eta vs tors. theta energy: -40.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -310.840825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.840825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.840825 (E_RNA)
where:
Base-Base interactions energy: -143.672
where: short stacking energy: -88.363
Base-Backbone interact. energy: -0.253
local terms energy: -166.915903
where:
bonds (distance) C4'-P energy: -42.268
bonds (distance) P-C4' energy: -49.144
flat angles C4'-P-C4' energy: -46.113
flat angles P-C4'-P energy: -29.186
tors. eta vs tors. theta energy: -0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -347.747346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.747346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.747346 (E_RNA)
where:
Base-Base interactions energy: -196.430
where: short stacking energy: -113.180
Base-Backbone interact. energy: -0.872
local terms energy: -150.444957
where:
bonds (distance) C4'-P energy: -36.131
bonds (distance) P-C4' energy: -44.818
flat angles C4'-P-C4' energy: -41.971
flat angles P-C4'-P energy: -24.778
tors. eta vs tors. theta energy: -2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -230.558269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.558269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.558269 (E_RNA)
where:
Base-Base interactions energy: -106.785
where: short stacking energy: -84.416
Base-Backbone interact. energy: 12.761
local terms energy: -136.534757
where:
bonds (distance) C4'-P energy: -40.876
bonds (distance) P-C4' energy: -48.466
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -25.124
tors. eta vs tors. theta energy: -3.545
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: 417
Temperature: 0.900000
Total energy: -930.908635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.908635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.908635 (E_RNA)
where:
Base-Base interactions energy: -650.766
where: short stacking energy: -275.283
Base-Backbone interact. energy: 0.119
local terms energy: -280.262328
where:
bonds (distance) C4'-P energy: -50.698
bonds (distance) P-C4' energy: -55.864
flat angles C4'-P-C4' energy: -56.475
flat angles P-C4'-P energy: -41.079
tors. eta vs tors. theta energy: -76.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -927.324937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.324937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.324937 (E_RNA)
where:
Base-Base interactions energy: -643.508
where: short stacking energy: -269.861
Base-Backbone interact. energy: -1.691
local terms energy: -282.126226
where:
bonds (distance) C4'-P energy: -46.981
bonds (distance) P-C4' energy: -56.088
flat angles C4'-P-C4' energy: -58.388
flat angles P-C4'-P energy: -34.473
tors. eta vs tors. theta energy: -86.197
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: 417
Temperature: 1.000000
Total energy: -849.366453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.366453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.366453 (E_RNA)
where:
Base-Base interactions energy: -585.454
where: short stacking energy: -254.356
Base-Backbone interact. energy: 0.229
local terms energy: -264.141147
where:
bonds (distance) C4'-P energy: -45.906
bonds (distance) P-C4' energy: -51.103
flat angles C4'-P-C4' energy: -51.708
flat angles P-C4'-P energy: -40.944
tors. eta vs tors. theta energy: -74.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -833.217113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.217113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.217113 (E_RNA)
where:
Base-Base interactions energy: -575.614
where: short stacking energy: -241.436
Base-Backbone interact. energy: 0.108
local terms energy: -257.711735
where:
bonds (distance) C4'-P energy: -48.050
bonds (distance) P-C4' energy: -51.477
flat angles C4'-P-C4' energy: -53.576
flat angles P-C4'-P energy: -31.862
tors. eta vs tors. theta energy: -72.748
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: 417
Temperature: 1.100000
Total energy: -782.132171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.132171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.132171 (E_RNA)
where:
Base-Base interactions energy: -535.789
where: short stacking energy: -241.021
Base-Backbone interact. energy: -0.204
local terms energy: -246.138689
where:
bonds (distance) C4'-P energy: -45.676
bonds (distance) P-C4' energy: -56.286
flat angles C4'-P-C4' energy: -52.806
flat angles P-C4'-P energy: -30.499
tors. eta vs tors. theta energy: -60.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -733.986483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.986483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.986483 (E_RNA)
where:
Base-Base interactions energy: -498.202
where: short stacking energy: -232.569
Base-Backbone interact. energy: -0.468
local terms energy: -235.316646
where:
bonds (distance) C4'-P energy: -46.058
bonds (distance) P-C4' energy: -44.888
flat angles C4'-P-C4' energy: -48.104
flat angles P-C4'-P energy: -28.219
tors. eta vs tors. theta energy: -68.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -549.269161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.269161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.269161 (E_RNA)
where:
Base-Base interactions energy: -336.501
where: short stacking energy: -159.809
Base-Backbone interact. energy: -1.290
local terms energy: -211.478246
where:
bonds (distance) C4'-P energy: -39.818
bonds (distance) P-C4' energy: -45.704
flat angles C4'-P-C4' energy: -53.397
flat angles P-C4'-P energy: -32.226
tors. eta vs tors. theta energy: -40.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -375.004886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.004886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.004886 (E_RNA)
where:
Base-Base interactions energy: -198.899
where: short stacking energy: -129.914
Base-Backbone interact. energy: -0.617
local terms energy: -175.489235
where:
bonds (distance) C4'-P energy: -39.535
bonds (distance) P-C4' energy: -47.304
flat angles C4'-P-C4' energy: -49.339
flat angles P-C4'-P energy: -20.536
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -303.688802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.688802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.688802 (E_RNA)
where:
Base-Base interactions energy: -147.331
where: short stacking energy: -92.199
Base-Backbone interact. energy: -0.699
local terms energy: -155.658520
where:
bonds (distance) C4'-P energy: -36.190
bonds (distance) P-C4' energy: -38.922
flat angles C4'-P-C4' energy: -52.617
flat angles P-C4'-P energy: -24.365
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -237.650280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.650280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.650280 (E_RNA)
where:
Base-Base interactions energy: -89.800
where: short stacking energy: -74.212
Base-Backbone interact. energy: -1.432
local terms energy: -146.417986
where:
bonds (distance) C4'-P energy: -51.039
bonds (distance) P-C4' energy: -46.396
flat angles C4'-P-C4' energy: -29.735
flat angles P-C4'-P energy: -22.714
tors. eta vs tors. theta energy: 3.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -929.859403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.859403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.859403 (E_RNA)
where:
Base-Base interactions energy: -652.590
where: short stacking energy: -276.304
Base-Backbone interact. energy: 1.923
local terms energy: -279.192764
where:
bonds (distance) C4'-P energy: -42.468
bonds (distance) P-C4' energy: -59.711
flat angles C4'-P-C4' energy: -58.684
flat angles P-C4'-P energy: -37.163
tors. eta vs tors. theta energy: -81.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -929.613456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.613456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.613456 (E_RNA)
where:
Base-Base interactions energy: -645.666
where: short stacking energy: -277.512
Base-Backbone interact. energy: -0.644
local terms energy: -283.302973
where:
bonds (distance) C4'-P energy: -54.525
bonds (distance) P-C4' energy: -46.313
flat angles C4'-P-C4' energy: -59.777
flat angles P-C4'-P energy: -38.009
tors. eta vs tors. theta energy: -84.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -853.814692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.814692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.814692 (E_RNA)
where:
Base-Base interactions energy: -599.546
where: short stacking energy: -264.437
Base-Backbone interact. energy: 0.361
local terms energy: -254.629525
where:
bonds (distance) C4'-P energy: -43.615
bonds (distance) P-C4' energy: -49.029
flat angles C4'-P-C4' energy: -54.948
flat angles P-C4'-P energy: -31.432
tors. eta vs tors. theta energy: -75.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -831.209409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.209409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.209409 (E_RNA)
where:
Base-Base interactions energy: -569.170
where: short stacking energy: -270.311
Base-Backbone interact. energy: -2.346
local terms energy: -259.693787
where:
bonds (distance) C4'-P energy: -52.725
bonds (distance) P-C4' energy: -47.789
flat angles C4'-P-C4' energy: -51.426
flat angles P-C4'-P energy: -33.564
tors. eta vs tors. theta energy: -74.190
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: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -749.100195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.100195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.100195 (E_RNA)
where:
Base-Base interactions energy: -500.198
where: short stacking energy: -209.133
Base-Backbone interact. energy: -0.899
local terms energy: -248.003019
where:
bonds (distance) C4'-P energy: -48.657
bonds (distance) P-C4' energy: -53.825
flat angles C4'-P-C4' energy: -47.959
flat angles P-C4'-P energy: -43.488
tors. eta vs tors. theta energy: -54.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -724.453912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.453912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.453912 (E_RNA)
where:
Base-Base interactions energy: -487.762
where: short stacking energy: -201.480
Base-Backbone interact. energy: -0.807
local terms energy: -235.884300
where:
bonds (distance) C4'-P energy: -47.789
bonds (distance) P-C4' energy: -52.754
flat angles C4'-P-C4' energy: -43.022
flat angles P-C4'-P energy: -34.460
tors. eta vs tors. theta energy: -57.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -536.081454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.081454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.081454 (E_RNA)
where:
Base-Base interactions energy: -319.787
where: short stacking energy: -150.750
Base-Backbone interact. energy: -2.518
local terms energy: -213.776657
where:
bonds (distance) C4'-P energy: -37.809
bonds (distance) P-C4' energy: -51.408
flat angles C4'-P-C4' energy: -53.080
flat angles P-C4'-P energy: -32.194
tors. eta vs tors. theta energy: -39.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -359.490560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.490560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.490560 (E_RNA)
where:
Base-Base interactions energy: -184.758
where: short stacking energy: -124.541
Base-Backbone interact. energy: -0.511
local terms energy: -174.221390
where:
bonds (distance) C4'-P energy: -36.438
bonds (distance) P-C4' energy: -51.141
flat angles C4'-P-C4' energy: -39.503
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -30.483
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: 418
Temperature: 1.300000
Total energy: -251.934015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.934015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.934015 (E_RNA)
where:
Base-Base interactions energy: -92.682
where: short stacking energy: -73.626
Base-Backbone interact. energy: -0.237
local terms energy: -159.014709
where:
bonds (distance) C4'-P energy: -47.457
bonds (distance) P-C4' energy: -38.658
flat angles C4'-P-C4' energy: -40.193
flat angles P-C4'-P energy: -28.448
tors. eta vs tors. theta energy: -4.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -285.931459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.931459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.931459 (E_RNA)
where:
Base-Base interactions energy: -135.179
where: short stacking energy: -75.937
Base-Backbone interact. energy: -0.509
local terms energy: -150.243579
where:
bonds (distance) C4'-P energy: -47.827
bonds (distance) P-C4' energy: -48.732
flat angles C4'-P-C4' energy: -39.599
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: 1.666
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: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -939.754991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.754991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.754991 (E_RNA)
where:
Base-Base interactions energy: -654.668
where: short stacking energy: -286.833
Base-Backbone interact. energy: -1.135
local terms energy: -283.952014
where:
bonds (distance) C4'-P energy: -53.412
bonds (distance) P-C4' energy: -55.455
flat angles C4'-P-C4' energy: -59.831
flat angles P-C4'-P energy: -31.198
tors. eta vs tors. theta energy: -84.055
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: 3
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -915.647760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.647760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.647760 (E_RNA)
where:
Base-Base interactions energy: -650.264
where: short stacking energy: -263.200
Base-Backbone interact. energy: -1.604
local terms energy: -263.780211
where:
bonds (distance) C4'-P energy: -44.728
bonds (distance) P-C4' energy: -50.321
flat angles C4'-P-C4' energy: -58.331
flat angles P-C4'-P energy: -27.812
tors. eta vs tors. theta energy: -82.588
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: 3, replica: 5
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -864.956945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.956945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.956945 (E_RNA)
where:
Base-Base interactions energy: -574.310
where: short stacking energy: -252.712
Base-Backbone interact. energy: -0.884
local terms energy: -289.762864
where:
bonds (distance) C4'-P energy: -60.296
bonds (distance) P-C4' energy: -55.337
flat angles C4'-P-C4' energy: -60.308
flat angles P-C4'-P energy: -36.375
tors. eta vs tors. theta energy: -77.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -839.842667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.842667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.842667 (E_RNA)
where:
Base-Base interactions energy: -556.590
where: short stacking energy: -244.913
Base-Backbone interact. energy: -0.488
local terms energy: -282.764613
where:
bonds (distance) C4'-P energy: -58.454
bonds (distance) P-C4' energy: -49.064
flat angles C4'-P-C4' energy: -62.546
flat angles P-C4'-P energy: -39.471
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: 5, replica: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -750.784968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.784968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.784968 (E_RNA)
where:
Base-Base interactions energy: -507.756
where: short stacking energy: -222.448
Base-Backbone interact. energy: -0.624
local terms energy: -242.404536
where:
bonds (distance) C4'-P energy: -38.645
bonds (distance) P-C4' energy: -57.059
flat angles C4'-P-C4' energy: -56.797
flat angles P-C4'-P energy: -34.767
tors. eta vs tors. theta energy: -55.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -702.652366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.652366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.652366 (E_RNA)
where:
Base-Base interactions energy: -464.667
where: short stacking energy: -200.378
Base-Backbone interact. energy: -0.968
local terms energy: -237.017584
where:
bonds (distance) C4'-P energy: -45.549
bonds (distance) P-C4' energy: -51.408
flat angles C4'-P-C4' energy: -49.613
flat angles P-C4'-P energy: -35.123
tors. eta vs tors. theta energy: -55.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -567.042209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.042209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.042209 (E_RNA)
where:
Base-Base interactions energy: -351.327
where: short stacking energy: -185.708
Base-Backbone interact. energy: -1.191
local terms energy: -214.523642
where:
bonds (distance) C4'-P energy: -39.352
bonds (distance) P-C4' energy: -39.927
flat angles C4'-P-C4' energy: -53.622
flat angles P-C4'-P energy: -34.294
tors. eta vs tors. theta energy: -47.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -349.430029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.430029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.430029 (E_RNA)
where:
Base-Base interactions energy: -166.841
where: short stacking energy: -109.886
Base-Backbone interact. energy: 0.892
local terms energy: -183.480525
where:
bonds (distance) C4'-P energy: -52.247
bonds (distance) P-C4' energy: -50.710
flat angles C4'-P-C4' energy: -37.880
flat angles P-C4'-P energy: -25.568
tors. eta vs tors. theta energy: -17.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -251.770147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.770147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.770147 (E_RNA)
where:
Base-Base interactions energy: -89.151
where: short stacking energy: -81.023
Base-Backbone interact. energy: -1.306
local terms energy: -161.313795
where:
bonds (distance) C4'-P energy: -46.469
bonds (distance) P-C4' energy: -54.714
flat angles C4'-P-C4' energy: -45.830
flat angles P-C4'-P energy: -19.857
tors. eta vs tors. theta energy: 5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -288.820249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.820249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.820249 (E_RNA)
where:
Base-Base interactions energy: -128.597
where: short stacking energy: -77.465
Base-Backbone interact. energy: -0.096
local terms energy: -160.127140
where:
bonds (distance) C4'-P energy: -45.065
bonds (distance) P-C4' energy: -48.490
flat angles C4'-P-C4' energy: -37.969
flat angles P-C4'-P energy: -23.512
tors. eta vs tors. theta energy: -5.090
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: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -950.200844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.200844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.200844 (E_RNA)
where:
Base-Base interactions energy: -655.103
where: short stacking energy: -280.445
Base-Backbone interact. energy: -1.387
local terms energy: -293.710671
where:
bonds (distance) C4'-P energy: -57.297
bonds (distance) P-C4' energy: -57.083
flat angles C4'-P-C4' energy: -59.291
flat angles P-C4'-P energy: -37.159
tors. eta vs tors. theta energy: -82.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -923.027114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.027114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.027114 (E_RNA)
where:
Base-Base interactions energy: -642.308
where: short stacking energy: -265.449
Base-Backbone interact. energy: -0.867
local terms energy: -279.851633
where:
bonds (distance) C4'-P energy: -48.506
bonds (distance) P-C4' energy: -53.729
flat angles C4'-P-C4' energy: -51.501
flat angles P-C4'-P energy: -40.646
tors. eta vs tors. theta energy: -85.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -853.519511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.519511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.519511 (E_RNA)
where:
Base-Base interactions energy: -570.808
where: short stacking energy: -250.426
Base-Backbone interact. energy: -1.984
local terms energy: -280.726752
where:
bonds (distance) C4'-P energy: -53.084
bonds (distance) P-C4' energy: -45.237
flat angles C4'-P-C4' energy: -59.704
flat angles P-C4'-P energy: -41.612
tors. eta vs tors. theta energy: -81.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -832.659898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.659898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.659898 (E_RNA)
where:
Base-Base interactions energy: -559.588
where: short stacking energy: -236.471
Base-Backbone interact. energy: -1.351
local terms energy: -271.721010
where:
bonds (distance) C4'-P energy: -49.299
bonds (distance) P-C4' energy: -46.874
flat angles C4'-P-C4' energy: -60.998
flat angles P-C4'-P energy: -35.355
tors. eta vs tors. theta energy: -79.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -755.955348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.955348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.955348 (E_RNA)
where:
Base-Base interactions energy: -505.302
where: short stacking energy: -217.112
Base-Backbone interact. energy: -0.755
local terms energy: -249.898995
where:
bonds (distance) C4'-P energy: -45.812
bonds (distance) P-C4' energy: -53.216
flat angles C4'-P-C4' energy: -51.070
flat angles P-C4'-P energy: -34.493
tors. eta vs tors. theta energy: -65.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -694.741489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.741489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.741489 (E_RNA)
where:
Base-Base interactions energy: -457.028
where: short stacking energy: -205.268
Base-Backbone interact. energy: -0.371
local terms energy: -237.342510
where:
bonds (distance) C4'-P energy: -45.202
bonds (distance) P-C4' energy: -44.916
flat angles C4'-P-C4' energy: -60.037
flat angles P-C4'-P energy: -28.482
tors. eta vs tors. theta energy: -58.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -599.523439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.523439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.523439 (E_RNA)
where:
Base-Base interactions energy: -371.344
where: short stacking energy: -171.458
Base-Backbone interact. energy: -0.429
local terms energy: -227.751209
where:
bonds (distance) C4'-P energy: -37.636
bonds (distance) P-C4' energy: -49.840
flat angles C4'-P-C4' energy: -56.256
flat angles P-C4'-P energy: -33.888
tors. eta vs tors. theta energy: -50.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -346.510544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.510544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.510544 (E_RNA)
where:
Base-Base interactions energy: -183.652
where: short stacking energy: -119.062
Base-Backbone interact. energy: -0.293
local terms energy: -162.565468
where:
bonds (distance) C4'-P energy: -48.620
bonds (distance) P-C4' energy: -39.157
flat angles C4'-P-C4' energy: -42.422
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -14.968
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: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -293.325688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.325688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.325688 (E_RNA)
where:
Base-Base interactions energy: -130.861
where: short stacking energy: -84.980
Base-Backbone interact. energy: -0.783
local terms energy: -161.681536
where:
bonds (distance) C4'-P energy: -41.312
bonds (distance) P-C4' energy: -42.916
flat angles C4'-P-C4' energy: -43.882
flat angles P-C4'-P energy: -31.858
tors. eta vs tors. theta energy: -1.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -214.347657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.347657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.347657 (E_RNA)
where:
Base-Base interactions energy: -81.582
where: short stacking energy: -79.702
Base-Backbone interact. energy: -0.857
local terms energy: -131.908622
where:
bonds (distance) C4'-P energy: -35.867
bonds (distance) P-C4' energy: -39.957
flat angles C4'-P-C4' energy: -31.733
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: -10.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -944.096278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.096278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.096278 (E_RNA)
where:
Base-Base interactions energy: -644.776
where: short stacking energy: -268.996
Base-Backbone interact. energy: -0.103
local terms energy: -299.217311
where:
bonds (distance) C4'-P energy: -55.234
bonds (distance) P-C4' energy: -55.214
flat angles C4'-P-C4' energy: -61.544
flat angles P-C4'-P energy: -43.599
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: 2, replica: 1
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -895.675248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.675248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.675248 (E_RNA)
where:
Base-Base interactions energy: -618.467
where: short stacking energy: -259.919
Base-Backbone interact. energy: 0.575
local terms energy: -277.783351
where:
bonds (distance) C4'-P energy: -55.070
bonds (distance) P-C4' energy: -54.681
flat angles C4'-P-C4' energy: -56.929
flat angles P-C4'-P energy: -35.898
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: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -859.362850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.362850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.362850 (E_RNA)
where:
Base-Base interactions energy: -576.335
where: short stacking energy: -258.808
Base-Backbone interact. energy: -1.111
local terms energy: -281.916769
where:
bonds (distance) C4'-P energy: -49.582
bonds (distance) P-C4' energy: -51.385
flat angles C4'-P-C4' energy: -61.004
flat angles P-C4'-P energy: -42.652
tors. eta vs tors. theta energy: -77.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -843.881605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.881605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.881605 (E_RNA)
where:
Base-Base interactions energy: -587.281
where: short stacking energy: -251.424
Base-Backbone interact. energy: -1.369
local terms energy: -255.231621
where:
bonds (distance) C4'-P energy: -55.156
bonds (distance) P-C4' energy: -44.471
flat angles C4'-P-C4' energy: -52.963
flat angles P-C4'-P energy: -30.952
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: 5, replica: 10
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -791.643814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.643814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.643814 (E_RNA)
where:
Base-Base interactions energy: -542.019
where: short stacking energy: -230.870
Base-Backbone interact. energy: -0.768
local terms energy: -248.856762
where:
bonds (distance) C4'-P energy: -52.160
bonds (distance) P-C4' energy: -41.109
flat angles C4'-P-C4' energy: -57.731
flat angles P-C4'-P energy: -36.022
tors. eta vs tors. theta energy: -61.834
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: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -714.158823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.158823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.158823 (E_RNA)
where:
Base-Base interactions energy: -479.296
where: short stacking energy: -206.722
Base-Backbone interact. energy: -2.230
local terms energy: -232.633205
where:
bonds (distance) C4'-P energy: -42.262
bonds (distance) P-C4' energy: -53.875
flat angles C4'-P-C4' energy: -46.230
flat angles P-C4'-P energy: -35.700
tors. eta vs tors. theta energy: -54.566
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: 421
Temperature: 1.200000
Total energy: -536.121022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.121022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.121022 (E_RNA)
where:
Base-Base interactions energy: -343.214
where: short stacking energy: -174.370
Base-Backbone interact. energy: -0.235
local terms energy: -192.672733
where:
bonds (distance) C4'-P energy: -34.253
bonds (distance) P-C4' energy: -42.374
flat angles C4'-P-C4' energy: -45.131
flat angles P-C4'-P energy: -34.096
tors. eta vs tors. theta energy: -36.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -355.561410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.561410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.561410 (E_RNA)
where:
Base-Base interactions energy: -191.816
where: short stacking energy: -125.104
Base-Backbone interact. energy: -1.612
local terms energy: -162.134319
where:
bonds (distance) C4'-P energy: -37.237
bonds (distance) P-C4' energy: -52.901
flat angles C4'-P-C4' energy: -45.299
flat angles P-C4'-P energy: -23.259
tors. eta vs tors. theta energy: -3.438
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: 421
Temperature: 1.300000
Total energy: -293.451360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.451360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.451360 (E_RNA)
where:
Base-Base interactions energy: -148.568
where: short stacking energy: -107.046
Base-Backbone interact. energy: 0.986
local terms energy: -145.868741
where:
bonds (distance) C4'-P energy: -25.053
bonds (distance) P-C4' energy: -49.299
flat angles C4'-P-C4' energy: -41.597
flat angles P-C4'-P energy: -22.703
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -211.288616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.288616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.288616 (E_RNA)
where:
Base-Base interactions energy: -63.113
where: short stacking energy: -56.583
Base-Backbone interact. energy: -1.731
local terms energy: -146.443962
where:
bonds (distance) C4'-P energy: -52.596
bonds (distance) P-C4' energy: -47.630
flat angles C4'-P-C4' energy: -36.264
flat angles P-C4'-P energy: -26.591
tors. eta vs tors. theta energy: 16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -951.931222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.931222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.931222 (E_RNA)
where:
Base-Base interactions energy: -655.525
where: short stacking energy: -272.983
Base-Backbone interact. energy: -2.176
local terms energy: -294.230307
where:
bonds (distance) C4'-P energy: -49.815
bonds (distance) P-C4' energy: -55.790
flat angles C4'-P-C4' energy: -61.048
flat angles P-C4'-P energy: -44.246
tors. eta vs tors. theta energy: -83.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -931.898335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.898335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.898335 (E_RNA)
where:
Base-Base interactions energy: -650.153
where: short stacking energy: -270.215
Base-Backbone interact. energy: -2.584
local terms energy: -279.160905
where:
bonds (distance) C4'-P energy: -42.849
bonds (distance) P-C4' energy: -49.035
flat angles C4'-P-C4' energy: -61.474
flat angles P-C4'-P energy: -40.678
tors. eta vs tors. theta energy: -85.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -848.223632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.223632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.223632 (E_RNA)
where:
Base-Base interactions energy: -563.598
where: short stacking energy: -257.072
Base-Backbone interact. energy: -2.347
local terms energy: -282.278974
where:
bonds (distance) C4'-P energy: -56.177
bonds (distance) P-C4' energy: -53.000
flat angles C4'-P-C4' energy: -60.984
flat angles P-C4'-P energy: -32.728
tors. eta vs tors. theta energy: -79.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -863.422217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.422217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.422217 (E_RNA)
where:
Base-Base interactions energy: -595.481
where: short stacking energy: -249.823
Base-Backbone interact. energy: -1.478
local terms energy: -266.463110
where:
bonds (distance) C4'-P energy: -46.263
bonds (distance) P-C4' energy: -43.649
flat angles C4'-P-C4' energy: -63.047
flat angles P-C4'-P energy: -35.687
tors. eta vs tors. theta energy: -77.817
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: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -769.230433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.230433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.230433 (E_RNA)
where:
Base-Base interactions energy: -525.914
where: short stacking energy: -225.586
Base-Backbone interact. energy: 1.339
local terms energy: -244.655928
where:
bonds (distance) C4'-P energy: -44.774
bonds (distance) P-C4' energy: -51.185
flat angles C4'-P-C4' energy: -53.572
flat angles P-C4'-P energy: -36.310
tors. eta vs tors. theta energy: -58.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -734.876311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.876311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.876311 (E_RNA)
where:
Base-Base interactions energy: -495.059
where: short stacking energy: -187.166
Base-Backbone interact. energy: -1.401
local terms energy: -238.416266
where:
bonds (distance) C4'-P energy: -49.323
bonds (distance) P-C4' energy: -48.375
flat angles C4'-P-C4' energy: -55.101
flat angles P-C4'-P energy: -27.266
tors. eta vs tors. theta energy: -58.351
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: 7
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -583.395245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.395245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.395245 (E_RNA)
where:
Base-Base interactions energy: -364.509
where: short stacking energy: -196.846
Base-Backbone interact. energy: -0.445
local terms energy: -218.440966
where:
bonds (distance) C4'-P energy: -51.384
bonds (distance) P-C4' energy: -51.643
flat angles C4'-P-C4' energy: -38.078
flat angles P-C4'-P energy: -39.805
tors. eta vs tors. theta energy: -37.530
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: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -330.813434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.813434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.813434 (E_RNA)
where:
Base-Base interactions energy: -170.168
where: short stacking energy: -101.160
Base-Backbone interact. energy: -0.591
local terms energy: -160.054949
where:
bonds (distance) C4'-P energy: -39.108
bonds (distance) P-C4' energy: -55.583
flat angles C4'-P-C4' energy: -31.272
flat angles P-C4'-P energy: -25.610
tors. eta vs tors. theta energy: -8.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -256.930746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.930746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.930746 (E_RNA)
where:
Base-Base interactions energy: -106.854
where: short stacking energy: -55.759
Base-Backbone interact. energy: -2.530
local terms energy: -147.546640
where:
bonds (distance) C4'-P energy: -38.619
bonds (distance) P-C4' energy: -47.991
flat angles C4'-P-C4' energy: -41.860
flat angles P-C4'-P energy: -38.487
tors. eta vs tors. theta energy: 19.410
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: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -221.707292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.707292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.707292 (E_RNA)
where:
Base-Base interactions energy: -72.276
where: short stacking energy: -58.256
Base-Backbone interact. energy: -0.847
local terms energy: -148.584550
where:
bonds (distance) C4'-P energy: -44.978
bonds (distance) P-C4' energy: -48.400
flat angles C4'-P-C4' energy: -33.705
flat angles P-C4'-P energy: -25.475
tors. eta vs tors. theta energy: 3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -941.240725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.240725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.240725 (E_RNA)
where:
Base-Base interactions energy: -647.571
where: short stacking energy: -284.176
Base-Backbone interact. energy: 1.632
local terms energy: -295.301778
where:
bonds (distance) C4'-P energy: -49.990
bonds (distance) P-C4' energy: -50.604
flat angles C4'-P-C4' energy: -62.161
flat angles P-C4'-P energy: -45.715
tors. eta vs tors. theta energy: -86.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -914.114135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.114135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.114135 (E_RNA)
where:
Base-Base interactions energy: -621.790
where: short stacking energy: -254.419
Base-Backbone interact. energy: -1.715
local terms energy: -290.609155
where:
bonds (distance) C4'-P energy: -49.706
bonds (distance) P-C4' energy: -55.199
flat angles C4'-P-C4' energy: -62.143
flat angles P-C4'-P energy: -43.232
tors. eta vs tors. theta energy: -80.329
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: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -870.780263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.780263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.780263 (E_RNA)
where:
Base-Base interactions energy: -584.876
where: short stacking energy: -253.727
Base-Backbone interact. energy: -2.008
local terms energy: -283.896204
where:
bonds (distance) C4'-P energy: -53.251
bonds (distance) P-C4' energy: -52.579
flat angles C4'-P-C4' energy: -59.465
flat angles P-C4'-P energy: -40.335
tors. eta vs tors. theta energy: -78.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -773.317562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.317562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.317562 (E_RNA)
where:
Base-Base interactions energy: -517.532
where: short stacking energy: -220.603
Base-Backbone interact. energy: -0.679
local terms energy: -255.106228
where:
bonds (distance) C4'-P energy: -54.800
bonds (distance) P-C4' energy: -43.671
flat angles C4'-P-C4' energy: -58.741
flat angles P-C4'-P energy: -33.934
tors. eta vs tors. theta energy: -63.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -830.973513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.973513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.973513 (E_RNA)
where:
Base-Base interactions energy: -559.717
where: short stacking energy: -243.796
Base-Backbone interact. energy: -1.124
local terms energy: -270.132296
where:
bonds (distance) C4'-P energy: -56.461
bonds (distance) P-C4' energy: -44.940
flat angles C4'-P-C4' energy: -57.616
flat angles P-C4'-P energy: -42.181
tors. eta vs tors. theta energy: -68.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -727.693633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.693633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.693633 (E_RNA)
where:
Base-Base interactions energy: -511.032
where: short stacking energy: -205.574
Base-Backbone interact. energy: -0.362
local terms energy: -216.299063
where:
bonds (distance) C4'-P energy: -44.384
bonds (distance) P-C4' energy: -53.397
flat angles C4'-P-C4' energy: -39.686
flat angles P-C4'-P energy: -27.666
tors. eta vs tors. theta energy: -51.166
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: 423
Temperature: 1.200000
Total energy: -584.105807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.105807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.105807 (E_RNA)
where:
Base-Base interactions energy: -386.931
where: short stacking energy: -181.389
Base-Backbone interact. energy: 0.233
local terms energy: -197.408281
where:
bonds (distance) C4'-P energy: -37.365
bonds (distance) P-C4' energy: -44.674
flat angles C4'-P-C4' energy: -40.921
flat angles P-C4'-P energy: -25.813
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: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -357.391349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.391349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.391349 (E_RNA)
where:
Base-Base interactions energy: -174.429
where: short stacking energy: -100.401
Base-Backbone interact. energy: -1.585
local terms energy: -181.377040
where:
bonds (distance) C4'-P energy: -43.493
bonds (distance) P-C4' energy: -46.401
flat angles C4'-P-C4' energy: -50.241
flat angles P-C4'-P energy: -31.653
tors. eta vs tors. theta energy: -9.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -248.582227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.582227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.582227 (E_RNA)
where:
Base-Base interactions energy: -91.712
where: short stacking energy: -66.376
Base-Backbone interact. energy: -1.060
local terms energy: -155.810158
where:
bonds (distance) C4'-P energy: -45.659
bonds (distance) P-C4' energy: -49.377
flat angles C4'-P-C4' energy: -40.728
flat angles P-C4'-P energy: -22.528
tors. eta vs tors. theta energy: 2.483
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: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -225.379500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.379500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.379500 (E_RNA)
where:
Base-Base interactions energy: -57.229
where: short stacking energy: -46.595
Base-Backbone interact. energy: 0.227
local terms energy: -168.377447
where:
bonds (distance) C4'-P energy: -47.136
bonds (distance) P-C4' energy: -56.954
flat angles C4'-P-C4' energy: -48.868
flat angles P-C4'-P energy: -25.963
tors. eta vs tors. theta energy: 10.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -952.675195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.675195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.675195 (E_RNA)
where:
Base-Base interactions energy: -665.486
where: short stacking energy: -273.976
Base-Backbone interact. energy: -2.322
local terms energy: -284.866854
where:
bonds (distance) C4'-P energy: -50.180
bonds (distance) P-C4' energy: -55.861
flat angles C4'-P-C4' energy: -67.029
flat angles P-C4'-P energy: -31.276
tors. eta vs tors. theta energy: -80.521
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: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -931.719836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.719836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.719836 (E_RNA)
where:
Base-Base interactions energy: -647.181
where: short stacking energy: -273.368
Base-Backbone interact. energy: -1.878
local terms energy: -282.660262
where:
bonds (distance) C4'-P energy: -56.774
bonds (distance) P-C4' energy: -51.571
flat angles C4'-P-C4' energy: -50.127
flat angles P-C4'-P energy: -42.274
tors. eta vs tors. theta energy: -81.914
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: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -847.265258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.265258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.265258 (E_RNA)
where:
Base-Base interactions energy: -566.723
where: short stacking energy: -246.984
Base-Backbone interact. energy: -1.928
local terms energy: -278.614903
where:
bonds (distance) C4'-P energy: -53.573
bonds (distance) P-C4' energy: -53.504
flat angles C4'-P-C4' energy: -60.350
flat angles P-C4'-P energy: -39.798
tors. eta vs tors. theta energy: -71.390
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: 424
Temperature: 1.050000
Total energy: -798.758319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.758319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.758319 (E_RNA)
where:
Base-Base interactions energy: -546.568
where: short stacking energy: -250.691
Base-Backbone interact. energy: 0.283
local terms energy: -252.472766
where:
bonds (distance) C4'-P energy: -49.322
bonds (distance) P-C4' energy: -45.398
flat angles C4'-P-C4' energy: -56.338
flat angles P-C4'-P energy: -33.671
tors. eta vs tors. theta energy: -67.743
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: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -808.319245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.319245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.319245 (E_RNA)
where:
Base-Base interactions energy: -553.477
where: short stacking energy: -232.902
Base-Backbone interact. energy: 0.383
local terms energy: -255.225531
where:
bonds (distance) C4'-P energy: -52.127
bonds (distance) P-C4' energy: -50.647
flat angles C4'-P-C4' energy: -54.782
flat angles P-C4'-P energy: -31.422
tors. eta vs tors. theta energy: -66.247
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: 424
Temperature: 1.150000
Total energy: -751.764813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.764813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.764813 (E_RNA)
where:
Base-Base interactions energy: -508.599
where: short stacking energy: -210.969
Base-Backbone interact. energy: -0.115
local terms energy: -243.050187
where:
bonds (distance) C4'-P energy: -52.459
bonds (distance) P-C4' energy: -51.763
flat angles C4'-P-C4' energy: -46.026
flat angles P-C4'-P energy: -33.410
tors. eta vs tors. theta energy: -59.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -546.103190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.103190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.103190 (E_RNA)
where:
Base-Base interactions energy: -333.850
where: short stacking energy: -179.526
Base-Backbone interact. energy: 2.329
local terms energy: -214.581873
where:
bonds (distance) C4'-P energy: -50.049
bonds (distance) P-C4' energy: -47.581
flat angles C4'-P-C4' energy: -42.536
flat angles P-C4'-P energy: -31.010
tors. eta vs tors. theta energy: -43.406
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: 8, replica: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -368.410660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.410660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.410660 (E_RNA)
where:
Base-Base interactions energy: -201.486
where: short stacking energy: -115.888
Base-Backbone interact. energy: 0.633
local terms energy: -167.557417
where:
bonds (distance) C4'-P energy: -39.686
bonds (distance) P-C4' energy: -43.479
flat angles C4'-P-C4' energy: -38.148
flat angles P-C4'-P energy: -29.497
tors. eta vs tors. theta energy: -16.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -246.957373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.957373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.957373 (E_RNA)
where:
Base-Base interactions energy: -84.254
where: short stacking energy: -80.177
Base-Backbone interact. energy: 1.042
local terms energy: -163.745038
where:
bonds (distance) C4'-P energy: -40.164
bonds (distance) P-C4' energy: -55.591
flat angles C4'-P-C4' energy: -47.486
flat angles P-C4'-P energy: -17.157
tors. eta vs tors. theta energy: -3.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -237.446537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.446537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.446537 (E_RNA)
where:
Base-Base interactions energy: -92.529
where: short stacking energy: -71.702
Base-Backbone interact. energy: 0.317
local terms energy: -145.234458
where:
bonds (distance) C4'-P energy: -39.104
bonds (distance) P-C4' energy: -44.206
flat angles C4'-P-C4' energy: -36.331
flat angles P-C4'-P energy: -25.633
tors. eta vs tors. theta energy: 0.040
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: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -948.700012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.700012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.700012 (E_RNA)
where:
Base-Base interactions energy: -658.218
where: short stacking energy: -269.384
Base-Backbone interact. energy: -3.008
local terms energy: -287.474374
where:
bonds (distance) C4'-P energy: -49.376
bonds (distance) P-C4' energy: -52.943
flat angles C4'-P-C4' energy: -60.927
flat angles P-C4'-P energy: -44.098
tors. eta vs tors. theta energy: -80.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -921.869445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.869445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.869445 (E_RNA)
where:
Base-Base interactions energy: -635.057
where: short stacking energy: -275.764
Base-Backbone interact. energy: -1.246
local terms energy: -285.566066
where:
bonds (distance) C4'-P energy: -46.352
bonds (distance) P-C4' energy: -58.333
flat angles C4'-P-C4' energy: -59.475
flat angles P-C4'-P energy: -36.309
tors. eta vs tors. theta energy: -85.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -852.626887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.626887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.626887 (E_RNA)
where:
Base-Base interactions energy: -566.070
where: short stacking energy: -239.774
Base-Backbone interact. energy: -1.665
local terms energy: -284.892589
where:
bonds (distance) C4'-P energy: -60.113
bonds (distance) P-C4' energy: -54.003
flat angles C4'-P-C4' energy: -56.166
flat angles P-C4'-P energy: -37.980
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: 4, replica: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -847.861626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.861626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.861626 (E_RNA)
where:
Base-Base interactions energy: -584.678
where: short stacking energy: -229.416
Base-Backbone interact. energy: -0.178
local terms energy: -263.005638
where:
bonds (distance) C4'-P energy: -48.642
bonds (distance) P-C4' energy: -55.041
flat angles C4'-P-C4' energy: -51.588
flat angles P-C4'-P energy: -36.232
tors. eta vs tors. theta energy: -71.503
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: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -782.332074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.332074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.332074 (E_RNA)
where:
Base-Base interactions energy: -530.551
where: short stacking energy: -222.613
Base-Backbone interact. energy: 0.068
local terms energy: -251.848905
where:
bonds (distance) C4'-P energy: -52.358
bonds (distance) P-C4' energy: -46.046
flat angles C4'-P-C4' energy: -54.670
flat angles P-C4'-P energy: -37.085
tors. eta vs tors. theta energy: -61.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -733.799280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.799280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.799280 (E_RNA)
where:
Base-Base interactions energy: -496.438
where: short stacking energy: -210.027
Base-Backbone interact. energy: -0.592
local terms energy: -236.768935
where:
bonds (distance) C4'-P energy: -38.669
bonds (distance) P-C4' energy: -47.607
flat angles C4'-P-C4' energy: -57.062
flat angles P-C4'-P energy: -28.494
tors. eta vs tors. theta energy: -64.936
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: 425
Temperature: 1.200000
Total energy: -547.058012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.058012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.058012 (E_RNA)
where:
Base-Base interactions energy: -347.292
where: short stacking energy: -174.595
Base-Backbone interact. energy: 1.937
local terms energy: -201.703651
where:
bonds (distance) C4'-P energy: -47.630
bonds (distance) P-C4' energy: -54.447
flat angles C4'-P-C4' energy: -38.091
flat angles P-C4'-P energy: -22.560
tors. eta vs tors. theta energy: -38.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -329.472475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.472475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.472475 (E_RNA)
where:
Base-Base interactions energy: -161.117
where: short stacking energy: -98.490
Base-Backbone interact. energy: 0.689
local terms energy: -169.044082
where:
bonds (distance) C4'-P energy: -38.406
bonds (distance) P-C4' energy: -50.502
flat angles C4'-P-C4' energy: -41.737
flat angles P-C4'-P energy: -32.632
tors. eta vs tors. theta energy: -5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -252.285067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.285067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.285067 (E_RNA)
where:
Base-Base interactions energy: -93.887
where: short stacking energy: -88.489
Base-Backbone interact. energy: -0.068
local terms energy: -158.329612
where:
bonds (distance) C4'-P energy: -48.389
bonds (distance) P-C4' energy: -29.577
flat angles C4'-P-C4' energy: -38.643
flat angles P-C4'-P energy: -28.492
tors. eta vs tors. theta energy: -13.230
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: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -220.783251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.783251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.783251 (E_RNA)
where:
Base-Base interactions energy: -76.286
where: short stacking energy: -64.715
Base-Backbone interact. energy: 6.850
local terms energy: -151.347067
where:
bonds (distance) C4'-P energy: -43.236
bonds (distance) P-C4' energy: -50.000
flat angles C4'-P-C4' energy: -41.945
flat angles P-C4'-P energy: -27.085
tors. eta vs tors. theta energy: 10.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -937.249463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.249463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.249463 (E_RNA)
where:
Base-Base interactions energy: -643.235
where: short stacking energy: -260.836
Base-Backbone interact. energy: 0.786
local terms energy: -294.800298
where:
bonds (distance) C4'-P energy: -54.188
bonds (distance) P-C4' energy: -58.185
flat angles C4'-P-C4' energy: -54.146
flat angles P-C4'-P energy: -47.902
tors. eta vs tors. theta energy: -80.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -931.972672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.972672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.972672 (E_RNA)
where:
Base-Base interactions energy: -639.382
where: short stacking energy: -278.776
Base-Backbone interact. energy: -1.319
local terms energy: -291.272221
where:
bonds (distance) C4'-P energy: -57.126
bonds (distance) P-C4' energy: -49.252
flat angles C4'-P-C4' energy: -60.336
flat angles P-C4'-P energy: -38.380
tors. eta vs tors. theta energy: -86.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -838.523708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.523708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.523708 (E_RNA)
where:
Base-Base interactions energy: -578.289
where: short stacking energy: -251.651
Base-Backbone interact. energy: 1.936
local terms energy: -262.171260
where:
bonds (distance) C4'-P energy: -47.564
bonds (distance) P-C4' energy: -46.752
flat angles C4'-P-C4' energy: -57.046
flat angles P-C4'-P energy: -35.531
tors. eta vs tors. theta energy: -75.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -838.175921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.175921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.175921 (E_RNA)
where:
Base-Base interactions energy: -583.117
where: short stacking energy: -245.045
Base-Backbone interact. energy: -0.642
local terms energy: -254.416636
where:
bonds (distance) C4'-P energy: -45.682
bonds (distance) P-C4' energy: -52.311
flat angles C4'-P-C4' energy: -53.099
flat angles P-C4'-P energy: -38.813
tors. eta vs tors. theta energy: -64.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -746.728741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.728741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.728741 (E_RNA)
where:
Base-Base interactions energy: -488.525
where: short stacking energy: -209.665
Base-Backbone interact. energy: -1.372
local terms energy: -256.832076
where:
bonds (distance) C4'-P energy: -53.816
bonds (distance) P-C4' energy: -55.693
flat angles C4'-P-C4' energy: -57.149
flat angles P-C4'-P energy: -36.829
tors. eta vs tors. theta energy: -53.345
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: 6
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -745.236586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.236586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.236586 (E_RNA)
where:
Base-Base interactions energy: -505.485
where: short stacking energy: -214.850
Base-Backbone interact. energy: -0.767
local terms energy: -238.984712
where:
bonds (distance) C4'-P energy: -50.824
bonds (distance) P-C4' energy: -49.138
flat angles C4'-P-C4' energy: -44.243
flat angles P-C4'-P energy: -30.399
tors. eta vs tors. theta energy: -64.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -499.329368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.329368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.329368 (E_RNA)
where:
Base-Base interactions energy: -292.102
where: short stacking energy: -137.821
Base-Backbone interact. energy: -1.486
local terms energy: -205.742015
where:
bonds (distance) C4'-P energy: -44.186
bonds (distance) P-C4' energy: -63.244
flat angles C4'-P-C4' energy: -53.484
flat angles P-C4'-P energy: -20.025
tors. eta vs tors. theta energy: -24.803
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: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -336.289798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.289798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.289798 (E_RNA)
where:
Base-Base interactions energy: -154.411
where: short stacking energy: -83.395
Base-Backbone interact. energy: 4.143
local terms energy: -186.021309
where:
bonds (distance) C4'-P energy: -38.354
bonds (distance) P-C4' energy: -55.625
flat angles C4'-P-C4' energy: -45.928
flat angles P-C4'-P energy: -31.670
tors. eta vs tors. theta energy: -14.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -262.303722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.303722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.303722 (E_RNA)
where:
Base-Base interactions energy: -99.748
where: short stacking energy: -54.262
Base-Backbone interact. energy: -3.468
local terms energy: -159.087500
where:
bonds (distance) C4'-P energy: -44.183
bonds (distance) P-C4' energy: -53.236
flat angles C4'-P-C4' energy: -42.280
flat angles P-C4'-P energy: -26.065
tors. eta vs tors. theta energy: 6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -234.572156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.572156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.572156 (E_RNA)
where:
Base-Base interactions energy: -74.560
where: short stacking energy: -60.462
Base-Backbone interact. energy: -0.621
local terms energy: -159.390590
where:
bonds (distance) C4'-P energy: -46.869
bonds (distance) P-C4' energy: -49.709
flat angles C4'-P-C4' energy: -35.511
flat angles P-C4'-P energy: -27.201
tors. eta vs tors. theta energy: -0.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -917.907682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.907682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.907682 (E_RNA)
where:
Base-Base interactions energy: -637.600
where: short stacking energy: -261.946
Base-Backbone interact. energy: -1.339
local terms energy: -278.968024
where:
bonds (distance) C4'-P energy: -54.382
bonds (distance) P-C4' energy: -48.402
flat angles C4'-P-C4' energy: -58.551
flat angles P-C4'-P energy: -36.769
tors. eta vs tors. theta energy: -80.864
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: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -902.824079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.824079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.824079 (E_RNA)
where:
Base-Base interactions energy: -617.710
where: short stacking energy: -267.439
Base-Backbone interact. energy: -1.570
local terms energy: -283.544321
where:
bonds (distance) C4'-P energy: -54.126
bonds (distance) P-C4' energy: -61.379
flat angles C4'-P-C4' energy: -53.700
flat angles P-C4'-P energy: -40.801
tors. eta vs tors. theta energy: -73.539
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: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -852.937788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.937788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.937788 (E_RNA)
where:
Base-Base interactions energy: -581.315
where: short stacking energy: -250.853
Base-Backbone interact. energy: -0.024
local terms energy: -271.598292
where:
bonds (distance) C4'-P energy: -42.316
bonds (distance) P-C4' energy: -56.970
flat angles C4'-P-C4' energy: -58.808
flat angles P-C4'-P energy: -41.550
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: 4, replica: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -887.663852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.663852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.663852 (E_RNA)
where:
Base-Base interactions energy: -615.339
where: short stacking energy: -270.910
Base-Backbone interact. energy: -1.817
local terms energy: -270.507546
where:
bonds (distance) C4'-P energy: -48.846
bonds (distance) P-C4' energy: -49.112
flat angles C4'-P-C4' energy: -59.300
flat angles P-C4'-P energy: -36.999
tors. eta vs tors. theta energy: -76.250
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: 5, replica: 10
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -770.789093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.789093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.789093 (E_RNA)
where:
Base-Base interactions energy: -542.112
where: short stacking energy: -237.262
Base-Backbone interact. energy: -0.704
local terms energy: -227.973119
where:
bonds (distance) C4'-P energy: -49.875
bonds (distance) P-C4' energy: -39.552
flat angles C4'-P-C4' energy: -49.539
flat angles P-C4'-P energy: -31.964
tors. eta vs tors. theta energy: -57.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -762.085991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.085991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.085991 (E_RNA)
where:
Base-Base interactions energy: -508.816
where: short stacking energy: -225.831
Base-Backbone interact. energy: -0.582
local terms energy: -252.687799
where:
bonds (distance) C4'-P energy: -51.990
bonds (distance) P-C4' energy: -47.136
flat angles C4'-P-C4' energy: -51.235
flat angles P-C4'-P energy: -31.960
tors. eta vs tors. theta energy: -70.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -560.392996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.392996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.392996 (E_RNA)
where:
Base-Base interactions energy: -363.330
where: short stacking energy: -167.221
Base-Backbone interact. energy: 1.588
local terms energy: -198.650479
where:
bonds (distance) C4'-P energy: -37.369
bonds (distance) P-C4' energy: -45.154
flat angles C4'-P-C4' energy: -52.834
flat angles P-C4'-P energy: -26.504
tors. eta vs tors. theta energy: -36.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -350.016535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.016535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.016535 (E_RNA)
where:
Base-Base interactions energy: -194.311
where: short stacking energy: -108.196
Base-Backbone interact. energy: -0.880
local terms energy: -154.825608
where:
bonds (distance) C4'-P energy: -42.422
bonds (distance) P-C4' energy: -44.506
flat angles C4'-P-C4' energy: -41.202
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -16.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -254.261570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.261570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.261570 (E_RNA)
where:
Base-Base interactions energy: -113.273
where: short stacking energy: -62.071
Base-Backbone interact. energy: 3.476
local terms energy: -144.464739
where:
bonds (distance) C4'-P energy: -43.564
bonds (distance) P-C4' energy: -50.532
flat angles C4'-P-C4' energy: -42.352
flat angles P-C4'-P energy: -23.200
tors. eta vs tors. theta energy: 15.184
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: 10, replica: 8
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -226.062846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.062846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.062846 (E_RNA)
where:
Base-Base interactions energy: -70.692
where: short stacking energy: -67.299
Base-Backbone interact. energy: -0.373
local terms energy: -154.997610
where:
bonds (distance) C4'-P energy: -38.443
bonds (distance) P-C4' energy: -46.932
flat angles C4'-P-C4' energy: -37.094
flat angles P-C4'-P energy: -27.783
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -930.845455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.845455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.845455 (E_RNA)
where:
Base-Base interactions energy: -645.932
where: short stacking energy: -273.468
Base-Backbone interact. energy: -2.171
local terms energy: -282.742691
where:
bonds (distance) C4'-P energy: -54.342
bonds (distance) P-C4' energy: -54.682
flat angles C4'-P-C4' energy: -58.684
flat angles P-C4'-P energy: -34.492
tors. eta vs tors. theta energy: -80.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -909.276442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.276442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.276442 (E_RNA)
where:
Base-Base interactions energy: -631.483
where: short stacking energy: -267.746
Base-Backbone interact. energy: -0.903
local terms energy: -276.891066
where:
bonds (distance) C4'-P energy: -47.006
bonds (distance) P-C4' energy: -57.976
flat angles C4'-P-C4' energy: -56.470
flat angles P-C4'-P energy: -33.759
tors. eta vs tors. theta energy: -81.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -865.055141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.055141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.055141 (E_RNA)
where:
Base-Base interactions energy: -597.992
where: short stacking energy: -246.099
Base-Backbone interact. energy: -0.862
local terms energy: -266.201173
where:
bonds (distance) C4'-P energy: -49.032
bonds (distance) P-C4' energy: -55.461
flat angles C4'-P-C4' energy: -57.575
flat angles P-C4'-P energy: -32.918
tors. eta vs tors. theta energy: -71.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -830.252693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.252693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.252693 (E_RNA)
where:
Base-Base interactions energy: -554.092
where: short stacking energy: -245.829
Base-Backbone interact. energy: -1.044
local terms energy: -275.116531
where:
bonds (distance) C4'-P energy: -48.315
bonds (distance) P-C4' energy: -58.677
flat angles C4'-P-C4' energy: -59.423
flat angles P-C4'-P energy: -40.128
tors. eta vs tors. theta energy: -68.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -778.490396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.490396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.490396 (E_RNA)
where:
Base-Base interactions energy: -546.869
where: short stacking energy: -225.525
Base-Backbone interact. energy: 0.210
local terms energy: -231.831092
where:
bonds (distance) C4'-P energy: -37.867
bonds (distance) P-C4' energy: -46.243
flat angles C4'-P-C4' energy: -54.146
flat angles P-C4'-P energy: -32.033
tors. eta vs tors. theta energy: -61.542
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: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -739.211272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.211272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.211272 (E_RNA)
where:
Base-Base interactions energy: -506.039
where: short stacking energy: -214.075
Base-Backbone interact. energy: -2.233
local terms energy: -230.939507
where:
bonds (distance) C4'-P energy: -50.301
bonds (distance) P-C4' energy: -40.122
flat angles C4'-P-C4' energy: -51.742
flat angles P-C4'-P energy: -29.909
tors. eta vs tors. theta energy: -58.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -509.785465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.785465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.785465 (E_RNA)
where:
Base-Base interactions energy: -302.473
where: short stacking energy: -146.125
Base-Backbone interact. energy: 0.380
local terms energy: -207.693439
where:
bonds (distance) C4'-P energy: -43.375
bonds (distance) P-C4' energy: -47.541
flat angles C4'-P-C4' energy: -49.853
flat angles P-C4'-P energy: -34.390
tors. eta vs tors. theta energy: -32.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -379.443778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.443778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.443778 (E_RNA)
where:
Base-Base interactions energy: -213.256
where: short stacking energy: -113.299
Base-Backbone interact. energy: 8.923
local terms energy: -175.110683
where:
bonds (distance) C4'-P energy: -38.152
bonds (distance) P-C4' energy: -60.997
flat angles C4'-P-C4' energy: -44.439
flat angles P-C4'-P energy: -24.078
tors. eta vs tors. theta energy: -7.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -232.421911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.421911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.421911 (E_RNA)
where:
Base-Base interactions energy: -93.821
where: short stacking energy: -84.664
Base-Backbone interact. energy: -2.412
local terms energy: -136.189461
where:
bonds (distance) C4'-P energy: -43.228
bonds (distance) P-C4' energy: -47.062
flat angles C4'-P-C4' energy: -27.996
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: 2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -222.710217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.710217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.710217 (E_RNA)
where:
Base-Base interactions energy: -85.902
where: short stacking energy: -70.828
Base-Backbone interact. energy: -0.390
local terms energy: -136.418846
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -39.987
flat angles C4'-P-C4' energy: -45.121
flat angles P-C4'-P energy: -36.367
tors. eta vs tors. theta energy: 4.073
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: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -921.516202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.516202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.516202 (E_RNA)
where:
Base-Base interactions energy: -629.948
where: short stacking energy: -263.710
Base-Backbone interact. energy: 0.521
local terms energy: -292.089493
where:
bonds (distance) C4'-P energy: -52.040
bonds (distance) P-C4' energy: -55.187
flat angles C4'-P-C4' energy: -56.638
flat angles P-C4'-P energy: -46.389
tors. eta vs tors. theta energy: -81.836
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: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -902.038293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.038293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.038293 (E_RNA)
where:
Base-Base interactions energy: -613.423
where: short stacking energy: -269.257
Base-Backbone interact. energy: 0.843
local terms energy: -289.458597
where:
bonds (distance) C4'-P energy: -51.498
bonds (distance) P-C4' energy: -53.210
flat angles C4'-P-C4' energy: -64.896
flat angles P-C4'-P energy: -38.628
tors. eta vs tors. theta energy: -81.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -883.729050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.729050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.729050 (E_RNA)
where:
Base-Base interactions energy: -607.274
where: short stacking energy: -251.110
Base-Backbone interact. energy: -3.179
local terms energy: -273.275703
where:
bonds (distance) C4'-P energy: -45.320
bonds (distance) P-C4' energy: -53.696
flat angles C4'-P-C4' energy: -57.773
flat angles P-C4'-P energy: -39.315
tors. eta vs tors. theta energy: -77.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -821.636886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.636886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.636886 (E_RNA)
where:
Base-Base interactions energy: -561.027
where: short stacking energy: -237.261
Base-Backbone interact. energy: -0.702
local terms energy: -259.907911
where:
bonds (distance) C4'-P energy: -48.995
bonds (distance) P-C4' energy: -50.606
flat angles C4'-P-C4' energy: -58.277
flat angles P-C4'-P energy: -38.160
tors. eta vs tors. theta energy: -63.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -782.485689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.485689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.485689 (E_RNA)
where:
Base-Base interactions energy: -526.147
where: short stacking energy: -233.322
Base-Backbone interact. energy: 0.400
local terms energy: -256.738512
where:
bonds (distance) C4'-P energy: -46.309
bonds (distance) P-C4' energy: -53.572
flat angles C4'-P-C4' energy: -55.996
flat angles P-C4'-P energy: -39.545
tors. eta vs tors. theta energy: -61.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -721.046278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.046278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.046278 (E_RNA)
where:
Base-Base interactions energy: -472.324
where: short stacking energy: -211.735
Base-Backbone interact. energy: -0.358
local terms energy: -248.363709
where:
bonds (distance) C4'-P energy: -47.666
bonds (distance) P-C4' energy: -52.888
flat angles C4'-P-C4' energy: -63.194
flat angles P-C4'-P energy: -31.157
tors. eta vs tors. theta energy: -53.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -488.842436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.842436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.842436 (E_RNA)
where:
Base-Base interactions energy: -301.787
where: short stacking energy: -151.423
Base-Backbone interact. energy: -2.057
local terms energy: -184.998587
where:
bonds (distance) C4'-P energy: -37.670
bonds (distance) P-C4' energy: -44.215
flat angles C4'-P-C4' energy: -50.668
flat angles P-C4'-P energy: -21.578
tors. eta vs tors. theta energy: -30.867
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: 8, replica: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -394.313907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.313907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.313907 (E_RNA)
where:
Base-Base interactions energy: -224.905
where: short stacking energy: -117.818
Base-Backbone interact. energy: -2.347
local terms energy: -167.062335
where:
bonds (distance) C4'-P energy: -43.064
bonds (distance) P-C4' energy: -45.182
flat angles C4'-P-C4' energy: -39.102
flat angles P-C4'-P energy: -22.119
tors. eta vs tors. theta energy: -17.595
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: 8
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -258.898293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.898293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.898293 (E_RNA)
where:
Base-Base interactions energy: -111.287
where: short stacking energy: -81.479
Base-Backbone interact. energy: -1.111
local terms energy: -146.499936
where:
bonds (distance) C4'-P energy: -49.005
bonds (distance) P-C4' energy: -44.141
flat angles C4'-P-C4' energy: -26.349
flat angles P-C4'-P energy: -23.764
tors. eta vs tors. theta energy: -3.241
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: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -268.690948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.690948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.690948 (E_RNA)
where:
Base-Base interactions energy: -134.295
where: short stacking energy: -81.859
Base-Backbone interact. energy: 1.818
local terms energy: -136.213934
where:
bonds (distance) C4'-P energy: -36.858
bonds (distance) P-C4' energy: -54.338
flat angles C4'-P-C4' energy: -37.044
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: 2.098
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: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -928.666546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.666546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.666546 (E_RNA)
where:
Base-Base interactions energy: -639.236
where: short stacking energy: -257.488
Base-Backbone interact. energy: 0.430
local terms energy: -289.861220
where:
bonds (distance) C4'-P energy: -55.042
bonds (distance) P-C4' energy: -60.005
flat angles C4'-P-C4' energy: -48.554
flat angles P-C4'-P energy: -43.903
tors. eta vs tors. theta energy: -82.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -886.600727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.600727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.600727 (E_RNA)
where:
Base-Base interactions energy: -608.508
where: short stacking energy: -252.291
Base-Backbone interact. energy: -1.108
local terms energy: -276.984124
where:
bonds (distance) C4'-P energy: -48.273
bonds (distance) P-C4' energy: -56.918
flat angles C4'-P-C4' energy: -62.074
flat angles P-C4'-P energy: -35.930
tors. eta vs tors. theta energy: -73.790
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: 3
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -884.894164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.894164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.894164 (E_RNA)
where:
Base-Base interactions energy: -629.140
where: short stacking energy: -247.082
Base-Backbone interact. energy: -0.492
local terms energy: -255.261930
where:
bonds (distance) C4'-P energy: -46.923
bonds (distance) P-C4' energy: -47.870
flat angles C4'-P-C4' energy: -54.499
flat angles P-C4'-P energy: -38.851
tors. eta vs tors. theta energy: -67.120
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: 10
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -794.870652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.870652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.870652 (E_RNA)
where:
Base-Base interactions energy: -537.134
where: short stacking energy: -235.994
Base-Backbone interact. energy: -1.468
local terms energy: -256.268736
where:
bonds (distance) C4'-P energy: -45.628
bonds (distance) P-C4' energy: -54.052
flat angles C4'-P-C4' energy: -52.587
flat angles P-C4'-P energy: -37.986
tors. eta vs tors. theta energy: -66.015
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: 430
Temperature: 1.100000
Total energy: -761.148327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.148327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.148327 (E_RNA)
where:
Base-Base interactions energy: -525.110
where: short stacking energy: -208.941
Base-Backbone interact. energy: 0.110
local terms energy: -236.148715
where:
bonds (distance) C4'-P energy: -44.583
bonds (distance) P-C4' energy: -44.444
flat angles C4'-P-C4' energy: -51.549
flat angles P-C4'-P energy: -45.481
tors. eta vs tors. theta energy: -50.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -746.445035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.445035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.445035 (E_RNA)
where:
Base-Base interactions energy: -502.925
where: short stacking energy: -213.984
Base-Backbone interact. energy: -1.731
local terms energy: -241.789492
where:
bonds (distance) C4'-P energy: -43.856
bonds (distance) P-C4' energy: -44.402
flat angles C4'-P-C4' energy: -48.241
flat angles P-C4'-P energy: -35.388
tors. eta vs tors. theta energy: -69.902
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: 430
Temperature: 1.200000
Total energy: -504.169636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.169636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.169636 (E_RNA)
where:
Base-Base interactions energy: -299.352
where: short stacking energy: -131.970
Base-Backbone interact. energy: 1.614
local terms energy: -206.431630
where:
bonds (distance) C4'-P energy: -51.695
bonds (distance) P-C4' energy: -49.331
flat angles C4'-P-C4' energy: -45.225
flat angles P-C4'-P energy: -23.667
tors. eta vs tors. theta energy: -36.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -412.717518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.717518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.717518 (E_RNA)
where:
Base-Base interactions energy: -233.596
where: short stacking energy: -115.734
Base-Backbone interact. energy: -0.787
local terms energy: -178.334623
where:
bonds (distance) C4'-P energy: -38.398
bonds (distance) P-C4' energy: -55.113
flat angles C4'-P-C4' energy: -48.079
flat angles P-C4'-P energy: -22.027
tors. eta vs tors. theta energy: -14.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -299.685947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.685947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.685947 (E_RNA)
where:
Base-Base interactions energy: -135.134
where: short stacking energy: -70.761
Base-Backbone interact. energy: 1.498
local terms energy: -166.049574
where:
bonds (distance) C4'-P energy: -43.452
bonds (distance) P-C4' energy: -46.533
flat angles C4'-P-C4' energy: -44.334
flat angles P-C4'-P energy: -29.991
tors. eta vs tors. theta energy: -1.740
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: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -225.763231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.763231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.763231 (E_RNA)
where:
Base-Base interactions energy: -96.040
where: short stacking energy: -81.770
Base-Backbone interact. energy: 2.922
local terms energy: -132.644956
where:
bonds (distance) C4'-P energy: -40.937
bonds (distance) P-C4' energy: -45.245
flat angles C4'-P-C4' energy: -33.832
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: 1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -924.487461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.487461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.487461 (E_RNA)
where:
Base-Base interactions energy: -643.958
where: short stacking energy: -267.701
Base-Backbone interact. energy: 0.310
local terms energy: -280.839814
where:
bonds (distance) C4'-P energy: -53.877
bonds (distance) P-C4' energy: -52.645
flat angles C4'-P-C4' energy: -58.781
flat angles P-C4'-P energy: -38.598
tors. eta vs tors. theta energy: -76.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -939.510589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.510589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.510589 (E_RNA)
where:
Base-Base interactions energy: -666.661
where: short stacking energy: -272.900
Base-Backbone interact. energy: -1.380
local terms energy: -271.470178
where:
bonds (distance) C4'-P energy: -51.576
bonds (distance) P-C4' energy: -46.862
flat angles C4'-P-C4' energy: -57.139
flat angles P-C4'-P energy: -35.899
tors. eta vs tors. theta energy: -79.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -868.506444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.506444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.506444 (E_RNA)
where:
Base-Base interactions energy: -594.776
where: short stacking energy: -245.482
Base-Backbone interact. energy: -1.623
local terms energy: -272.107380
where:
bonds (distance) C4'-P energy: -53.679
bonds (distance) P-C4' energy: -45.788
flat angles C4'-P-C4' energy: -58.378
flat angles P-C4'-P energy: -41.773
tors. eta vs tors. theta energy: -72.490
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: 6
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -785.784747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.784747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.784747 (E_RNA)
where:
Base-Base interactions energy: -536.873
where: short stacking energy: -228.544
Base-Backbone interact. energy: -0.786
local terms energy: -248.126290
where:
bonds (distance) C4'-P energy: -50.767
bonds (distance) P-C4' energy: -49.298
flat angles C4'-P-C4' energy: -54.182
flat angles P-C4'-P energy: -32.333
tors. eta vs tors. theta energy: -61.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -778.323335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.323335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.323335 (E_RNA)
where:
Base-Base interactions energy: -523.057
where: short stacking energy: -227.307
Base-Backbone interact. energy: -1.010
local terms energy: -254.255643
where:
bonds (distance) C4'-P energy: -46.942
bonds (distance) P-C4' energy: -48.177
flat angles C4'-P-C4' energy: -54.204
flat angles P-C4'-P energy: -42.386
tors. eta vs tors. theta energy: -62.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -742.921387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.921387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.921387 (E_RNA)
where:
Base-Base interactions energy: -487.541
where: short stacking energy: -212.116
Base-Backbone interact. energy: -1.521
local terms energy: -253.858627
where:
bonds (distance) C4'-P energy: -53.764
bonds (distance) P-C4' energy: -58.338
flat angles C4'-P-C4' energy: -47.904
flat angles P-C4'-P energy: -28.094
tors. eta vs tors. theta energy: -65.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -492.686447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.686447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.686447 (E_RNA)
where:
Base-Base interactions energy: -315.963
where: short stacking energy: -127.538
Base-Backbone interact. energy: -1.237
local terms energy: -175.486282
where:
bonds (distance) C4'-P energy: -44.533
bonds (distance) P-C4' energy: -37.895
flat angles C4'-P-C4' energy: -53.962
flat angles P-C4'-P energy: -18.310
tors. eta vs tors. theta energy: -20.787
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: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -431.822857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.822857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.822857 (E_RNA)
where:
Base-Base interactions energy: -242.643
where: short stacking energy: -119.215
Base-Backbone interact. energy: -0.864
local terms energy: -188.316130
where:
bonds (distance) C4'-P energy: -43.996
bonds (distance) P-C4' energy: -47.615
flat angles C4'-P-C4' energy: -45.899
flat angles P-C4'-P energy: -29.957
tors. eta vs tors. theta energy: -20.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -297.091228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.091228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.091228 (E_RNA)
where:
Base-Base interactions energy: -144.266
where: short stacking energy: -100.183
Base-Backbone interact. energy: -1.891
local terms energy: -150.934511
where:
bonds (distance) C4'-P energy: -42.724
bonds (distance) P-C4' energy: -51.538
flat angles C4'-P-C4' energy: -36.022
flat angles P-C4'-P energy: -17.976
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -231.539019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.539019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.539019 (E_RNA)
where:
Base-Base interactions energy: -87.065
where: short stacking energy: -79.833
Base-Backbone interact. energy: 1.377
local terms energy: -145.851345
where:
bonds (distance) C4'-P energy: -43.923
bonds (distance) P-C4' energy: -43.945
flat angles C4'-P-C4' energy: -28.726
flat angles P-C4'-P energy: -28.178
tors. eta vs tors. theta energy: -1.080
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: 3
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -963.379241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.379241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.379241 (E_RNA)
where:
Base-Base interactions energy: -674.685
where: short stacking energy: -289.724
Base-Backbone interact. energy: -3.201
local terms energy: -285.493553
where:
bonds (distance) C4'-P energy: -55.535
bonds (distance) P-C4' energy: -43.721
flat angles C4'-P-C4' energy: -62.830
flat angles P-C4'-P energy: -42.347
tors. eta vs tors. theta energy: -81.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -901.055482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.055482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.055482 (E_RNA)
where:
Base-Base interactions energy: -624.487
where: short stacking energy: -270.622
Base-Backbone interact. energy: 2.072
local terms energy: -278.641357
where:
bonds (distance) C4'-P energy: -59.137
bonds (distance) P-C4' energy: -46.727
flat angles C4'-P-C4' energy: -57.839
flat angles P-C4'-P energy: -32.663
tors. eta vs tors. theta energy: -82.276
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: 432
Temperature: 1.000000
Total energy: -870.100267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.100267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.100267 (E_RNA)
where:
Base-Base interactions energy: -583.628
where: short stacking energy: -245.799
Base-Backbone interact. energy: -1.698
local terms energy: -284.773919
where:
bonds (distance) C4'-P energy: -41.459
bonds (distance) P-C4' energy: -55.049
flat angles C4'-P-C4' energy: -62.536
flat angles P-C4'-P energy: -45.420
tors. eta vs tors. theta energy: -80.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -806.458928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.458928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.458928 (E_RNA)
where:
Base-Base interactions energy: -562.876
where: short stacking energy: -212.363
Base-Backbone interact. energy: -2.558
local terms energy: -241.024586
where:
bonds (distance) C4'-P energy: -41.878
bonds (distance) P-C4' energy: -54.306
flat angles C4'-P-C4' energy: -50.282
flat angles P-C4'-P energy: -33.364
tors. eta vs tors. theta energy: -61.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -781.664294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.664294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.664294 (E_RNA)
where:
Base-Base interactions energy: -539.699
where: short stacking energy: -231.099
Base-Backbone interact. energy: -0.080
local terms energy: -241.885313
where:
bonds (distance) C4'-P energy: -51.938
bonds (distance) P-C4' energy: -43.889
flat angles C4'-P-C4' energy: -49.023
flat angles P-C4'-P energy: -36.810
tors. eta vs tors. theta energy: -60.225
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: 6, replica: 2
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -723.367927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.367927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.367927 (E_RNA)
where:
Base-Base interactions energy: -501.170
where: short stacking energy: -198.094
Base-Backbone interact. energy: 2.460
local terms energy: -224.658177
where:
bonds (distance) C4'-P energy: -51.718
bonds (distance) P-C4' energy: -41.469
flat angles C4'-P-C4' energy: -53.552
flat angles P-C4'-P energy: -29.854
tors. eta vs tors. theta energy: -48.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -524.575997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.575997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.575997 (E_RNA)
where:
Base-Base interactions energy: -329.264
where: short stacking energy: -148.847
Base-Backbone interact. energy: -1.731
local terms energy: -193.580652
where:
bonds (distance) C4'-P energy: -40.695
bonds (distance) P-C4' energy: -46.393
flat angles C4'-P-C4' energy: -44.296
flat angles P-C4'-P energy: -39.476
tors. eta vs tors. theta energy: -22.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -417.683040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.683040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.683040 (E_RNA)
where:
Base-Base interactions energy: -239.014
where: short stacking energy: -125.580
Base-Backbone interact. energy: -1.039
local terms energy: -177.630316
where:
bonds (distance) C4'-P energy: -39.733
bonds (distance) P-C4' energy: -46.991
flat angles C4'-P-C4' energy: -48.252
flat angles P-C4'-P energy: -34.769
tors. eta vs tors. theta energy: -7.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -243.963948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.963948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.963948 (E_RNA)
where:
Base-Base interactions energy: -90.384
where: short stacking energy: -63.149
Base-Backbone interact. energy: 1.323
local terms energy: -154.903093
where:
bonds (distance) C4'-P energy: -37.953
bonds (distance) P-C4' energy: -53.623
flat angles C4'-P-C4' energy: -41.768
flat angles P-C4'-P energy: -18.779
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -290.991025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.991025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.991025 (E_RNA)
where:
Base-Base interactions energy: -138.471
where: short stacking energy: -92.671
Base-Backbone interact. energy: -0.353
local terms energy: -152.167555
where:
bonds (distance) C4'-P energy: -36.901
bonds (distance) P-C4' energy: -50.171
flat angles C4'-P-C4' energy: -37.992
flat angles P-C4'-P energy: -23.433
tors. eta vs tors. theta energy: -3.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -950.153338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.153338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.153338 (E_RNA)
where:
Base-Base interactions energy: -655.747
where: short stacking energy: -287.634
Base-Backbone interact. energy: -0.140
local terms energy: -294.266513
where:
bonds (distance) C4'-P energy: -57.077
bonds (distance) P-C4' energy: -56.872
flat angles C4'-P-C4' energy: -57.756
flat angles P-C4'-P energy: -43.643
tors. eta vs tors. theta energy: -78.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -886.656026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.656026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.656026 (E_RNA)
where:
Base-Base interactions energy: -611.301
where: short stacking energy: -242.853
Base-Backbone interact. energy: -1.251
local terms energy: -274.104421
where:
bonds (distance) C4'-P energy: -45.762
bonds (distance) P-C4' energy: -53.414
flat angles C4'-P-C4' energy: -53.062
flat angles P-C4'-P energy: -41.623
tors. eta vs tors. theta energy: -80.244
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: 5
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -869.195377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.195377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.195377 (E_RNA)
where:
Base-Base interactions energy: -588.160
where: short stacking energy: -245.177
Base-Backbone interact. energy: -1.318
local terms energy: -279.717391
where:
bonds (distance) C4'-P energy: -57.457
bonds (distance) P-C4' energy: -48.341
flat angles C4'-P-C4' energy: -59.726
flat angles P-C4'-P energy: -39.301
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: 433
Temperature: 1.050000
Total energy: -786.529340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.529340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.529340 (E_RNA)
where:
Base-Base interactions energy: -530.141
where: short stacking energy: -233.792
Base-Backbone interact. energy: -1.060
local terms energy: -255.328361
where:
bonds (distance) C4'-P energy: -54.185
bonds (distance) P-C4' energy: -50.238
flat angles C4'-P-C4' energy: -55.620
flat angles P-C4'-P energy: -32.616
tors. eta vs tors. theta energy: -62.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -774.169554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.169554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.169554 (E_RNA)
where:
Base-Base interactions energy: -517.885
where: short stacking energy: -231.366
Base-Backbone interact. energy: 1.519
local terms energy: -257.802650
where:
bonds (distance) C4'-P energy: -51.695
bonds (distance) P-C4' energy: -48.365
flat angles C4'-P-C4' energy: -53.756
flat angles P-C4'-P energy: -38.880
tors. eta vs tors. theta energy: -65.107
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: 2
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -741.819503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.819503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.819503 (E_RNA)
where:
Base-Base interactions energy: -506.748
where: short stacking energy: -214.510
Base-Backbone interact. energy: -0.022
local terms energy: -235.049605
where:
bonds (distance) C4'-P energy: -47.493
bonds (distance) P-C4' energy: -43.420
flat angles C4'-P-C4' energy: -50.258
flat angles P-C4'-P energy: -36.632
tors. eta vs tors. theta energy: -57.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -500.020389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.020389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.020389 (E_RNA)
where:
Base-Base interactions energy: -299.071
where: short stacking energy: -149.189
Base-Backbone interact. energy: -0.888
local terms energy: -200.061552
where:
bonds (distance) C4'-P energy: -48.797
bonds (distance) P-C4' energy: -38.368
flat angles C4'-P-C4' energy: -44.686
flat angles P-C4'-P energy: -32.912
tors. eta vs tors. theta energy: -35.299
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: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -415.645249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.645249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.645249 (E_RNA)
where:
Base-Base interactions energy: -239.834
where: short stacking energy: -115.816
Base-Backbone interact. energy: 1.721
local terms energy: -177.532277
where:
bonds (distance) C4'-P energy: -47.319
bonds (distance) P-C4' energy: -45.968
flat angles C4'-P-C4' energy: -37.302
flat angles P-C4'-P energy: -42.672
tors. eta vs tors. theta energy: -4.272
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: 433
Temperature: 1.300000
Total energy: -237.382037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.382037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.382037 (E_RNA)
where:
Base-Base interactions energy: -97.423
where: short stacking energy: -75.890
Base-Backbone interact. energy: -0.574
local terms energy: -139.384860
where:
bonds (distance) C4'-P energy: -38.412
bonds (distance) P-C4' energy: -45.163
flat angles C4'-P-C4' energy: -23.159
flat angles P-C4'-P energy: -26.646
tors. eta vs tors. theta energy: -6.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -270.766852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.766852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.766852 (E_RNA)
where:
Base-Base interactions energy: -113.452
where: short stacking energy: -65.600
Base-Backbone interact. energy: -1.475
local terms energy: -155.839884
where:
bonds (distance) C4'-P energy: -48.480
bonds (distance) P-C4' energy: -41.122
flat angles C4'-P-C4' energy: -40.975
flat angles P-C4'-P energy: -28.466
tors. eta vs tors. theta energy: 3.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -949.321065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.321065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.321065 (E_RNA)
where:
Base-Base interactions energy: -667.988
where: short stacking energy: -283.327
Base-Backbone interact. energy: 1.439
local terms energy: -282.771584
where:
bonds (distance) C4'-P energy: -52.704
bonds (distance) P-C4' energy: -50.057
flat angles C4'-P-C4' energy: -61.833
flat angles P-C4'-P energy: -37.924
tors. eta vs tors. theta energy: -80.253
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: 2, replica: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -892.374486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.374486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.374486 (E_RNA)
where:
Base-Base interactions energy: -613.820
where: short stacking energy: -250.782
Base-Backbone interact. energy: 0.120
local terms energy: -278.673999
where:
bonds (distance) C4'-P energy: -58.914
bonds (distance) P-C4' energy: -47.148
flat angles C4'-P-C4' energy: -53.856
flat angles P-C4'-P energy: -39.701
tors. eta vs tors. theta energy: -79.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -861.012892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.012892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.012892 (E_RNA)
where:
Base-Base interactions energy: -597.374
where: short stacking energy: -247.458
Base-Backbone interact. energy: -0.544
local terms energy: -263.094393
where:
bonds (distance) C4'-P energy: -46.275
bonds (distance) P-C4' energy: -42.575
flat angles C4'-P-C4' energy: -63.016
flat angles P-C4'-P energy: -45.807
tors. eta vs tors. theta energy: -65.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -791.615247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.615247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.615247 (E_RNA)
where:
Base-Base interactions energy: -543.446
where: short stacking energy: -224.895
Base-Backbone interact. energy: -0.603
local terms energy: -247.566148
where:
bonds (distance) C4'-P energy: -51.808
bonds (distance) P-C4' energy: -44.566
flat angles C4'-P-C4' energy: -47.613
flat angles P-C4'-P energy: -36.755
tors. eta vs tors. theta energy: -66.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -773.962593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.962593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.962593 (E_RNA)
where:
Base-Base interactions energy: -509.665
where: short stacking energy: -228.315
Base-Backbone interact. energy: -1.938
local terms energy: -262.359015
where:
bonds (distance) C4'-P energy: -41.055
bonds (distance) P-C4' energy: -50.368
flat angles C4'-P-C4' energy: -64.474
flat angles P-C4'-P energy: -38.943
tors. eta vs tors. theta energy: -67.519
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: 434
Temperature: 1.150000
Total energy: -727.730882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.730882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.730882 (E_RNA)
where:
Base-Base interactions energy: -490.057
where: short stacking energy: -214.008
Base-Backbone interact. energy: -0.738
local terms energy: -236.935111
where:
bonds (distance) C4'-P energy: -37.808
bonds (distance) P-C4' energy: -49.772
flat angles C4'-P-C4' energy: -56.636
flat angles P-C4'-P energy: -35.784
tors. eta vs tors. theta energy: -56.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -481.506665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.506665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.506665 (E_RNA)
where:
Base-Base interactions energy: -278.996
where: short stacking energy: -132.790
Base-Backbone interact. energy: 1.169
local terms energy: -203.680082
where:
bonds (distance) C4'-P energy: -43.026
bonds (distance) P-C4' energy: -48.192
flat angles C4'-P-C4' energy: -50.271
flat angles P-C4'-P energy: -33.130
tors. eta vs tors. theta energy: -29.062
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: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -426.282522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.282522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.282522 (E_RNA)
where:
Base-Base interactions energy: -252.523
where: short stacking energy: -132.280
Base-Backbone interact. energy: 1.651
local terms energy: -175.410353
where:
bonds (distance) C4'-P energy: -39.929
bonds (distance) P-C4' energy: -46.691
flat angles C4'-P-C4' energy: -38.259
flat angles P-C4'-P energy: -32.813
tors. eta vs tors. theta energy: -17.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -303.937371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.937371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.937371 (E_RNA)
where:
Base-Base interactions energy: -143.666
where: short stacking energy: -94.147
Base-Backbone interact. energy: -1.092
local terms energy: -159.179263
where:
bonds (distance) C4'-P energy: -42.098
bonds (distance) P-C4' energy: -36.896
flat angles C4'-P-C4' energy: -44.030
flat angles P-C4'-P energy: -21.784
tors. eta vs tors. theta energy: -14.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -238.857952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.857952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.857952 (E_RNA)
where:
Base-Base interactions energy: -89.895
where: short stacking energy: -80.558
Base-Backbone interact. energy: -1.452
local terms energy: -147.510712
where:
bonds (distance) C4'-P energy: -30.405
bonds (distance) P-C4' energy: -46.751
flat angles C4'-P-C4' energy: -44.172
flat angles P-C4'-P energy: -25.847
tors. eta vs tors. theta energy: -0.336
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: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -957.723676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.723676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.723676 (E_RNA)
where:
Base-Base interactions energy: -665.431
where: short stacking energy: -283.650
Base-Backbone interact. energy: -2.753
local terms energy: -289.538817
where:
bonds (distance) C4'-P energy: -53.811
bonds (distance) P-C4' energy: -53.160
flat angles C4'-P-C4' energy: -63.477
flat angles P-C4'-P energy: -36.106
tors. eta vs tors. theta energy: -82.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -894.967195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.967195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.967195 (E_RNA)
where:
Base-Base interactions energy: -616.865
where: short stacking energy: -264.538
Base-Backbone interact. energy: -0.989
local terms energy: -277.112622
where:
bonds (distance) C4'-P energy: -47.918
bonds (distance) P-C4' energy: -49.990
flat angles C4'-P-C4' energy: -58.375
flat angles P-C4'-P energy: -39.274
tors. eta vs tors. theta energy: -81.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -850.013397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.013397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.013397 (E_RNA)
where:
Base-Base interactions energy: -582.888
where: short stacking energy: -238.191
Base-Backbone interact. energy: -0.716
local terms energy: -266.409711
where:
bonds (distance) C4'-P energy: -51.550
bonds (distance) P-C4' energy: -52.915
flat angles C4'-P-C4' energy: -49.716
flat angles P-C4'-P energy: -41.177
tors. eta vs tors. theta energy: -71.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -764.617163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.617163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.617163 (E_RNA)
where:
Base-Base interactions energy: -514.795
where: short stacking energy: -222.949
Base-Backbone interact. energy: 1.449
local terms energy: -251.270513
where:
bonds (distance) C4'-P energy: -51.636
bonds (distance) P-C4' energy: -49.120
flat angles C4'-P-C4' energy: -60.199
flat angles P-C4'-P energy: -30.446
tors. eta vs tors. theta energy: -59.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -770.011881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.011881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.011881 (E_RNA)
where:
Base-Base interactions energy: -521.840
where: short stacking energy: -216.314
Base-Backbone interact. energy: 1.550
local terms energy: -249.721143
where:
bonds (distance) C4'-P energy: -51.948
bonds (distance) P-C4' energy: -43.042
flat angles C4'-P-C4' energy: -55.160
flat angles P-C4'-P energy: -29.895
tors. eta vs tors. theta energy: -69.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -718.823697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.823697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.823697 (E_RNA)
where:
Base-Base interactions energy: -471.141
where: short stacking energy: -195.771
Base-Backbone interact. energy: -0.424
local terms energy: -247.258247
where:
bonds (distance) C4'-P energy: -55.782
bonds (distance) P-C4' energy: -52.146
flat angles C4'-P-C4' energy: -55.505
flat angles P-C4'-P energy: -32.540
tors. eta vs tors. theta energy: -51.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -494.381541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.381541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.381541 (E_RNA)
where:
Base-Base interactions energy: -307.796
where: short stacking energy: -143.865
Base-Backbone interact. energy: 2.928
local terms energy: -189.514074
where:
bonds (distance) C4'-P energy: -57.249
bonds (distance) P-C4' energy: -46.201
flat angles C4'-P-C4' energy: -44.814
flat angles P-C4'-P energy: -24.910
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -449.253866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.253866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.253866 (E_RNA)
where:
Base-Base interactions energy: -250.896
where: short stacking energy: -141.602
Base-Backbone interact. energy: -2.641
local terms energy: -195.716897
where:
bonds (distance) C4'-P energy: -44.622
bonds (distance) P-C4' energy: -47.525
flat angles C4'-P-C4' energy: -51.590
flat angles P-C4'-P energy: -30.308
tors. eta vs tors. theta energy: -21.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -322.207000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.207000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.207000 (E_RNA)
where:
Base-Base interactions energy: -159.654
where: short stacking energy: -94.285
Base-Backbone interact. energy: 1.496
local terms energy: -164.049083
where:
bonds (distance) C4'-P energy: -41.338
bonds (distance) P-C4' energy: -49.778
flat angles C4'-P-C4' energy: -46.482
flat angles P-C4'-P energy: -26.089
tors. eta vs tors. theta energy: -0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -247.321201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.321201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.321201 (E_RNA)
where:
Base-Base interactions energy: -98.601
where: short stacking energy: -87.518
Base-Backbone interact. energy: 1.672
local terms energy: -150.392121
where:
bonds (distance) C4'-P energy: -42.984
bonds (distance) P-C4' energy: -48.444
flat angles C4'-P-C4' energy: -40.568
flat angles P-C4'-P energy: -23.298
tors. eta vs tors. theta energy: 4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -949.099459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.099459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.099459 (E_RNA)
where:
Base-Base interactions energy: -652.477
where: short stacking energy: -255.762
Base-Backbone interact. energy: -1.003
local terms energy: -295.619157
where:
bonds (distance) C4'-P energy: -62.623
bonds (distance) P-C4' energy: -56.211
flat angles C4'-P-C4' energy: -58.979
flat angles P-C4'-P energy: -40.506
tors. eta vs tors. theta energy: -77.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -909.804585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.804585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.804585 (E_RNA)
where:
Base-Base interactions energy: -628.631
where: short stacking energy: -264.225
Base-Backbone interact. energy: -1.081
local terms energy: -280.092807
where:
bonds (distance) C4'-P energy: -46.580
bonds (distance) P-C4' energy: -50.182
flat angles C4'-P-C4' energy: -58.136
flat angles P-C4'-P energy: -43.130
tors. eta vs tors. theta energy: -82.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -872.957436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.957436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.957436 (E_RNA)
where:
Base-Base interactions energy: -611.441
where: short stacking energy: -254.516
Base-Backbone interact. energy: -0.923
local terms energy: -260.592961
where:
bonds (distance) C4'-P energy: -43.217
bonds (distance) P-C4' energy: -45.614
flat angles C4'-P-C4' energy: -58.584
flat angles P-C4'-P energy: -40.780
tors. eta vs tors. theta energy: -72.397
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: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -773.905756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.905756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.905756 (E_RNA)
where:
Base-Base interactions energy: -517.954
where: short stacking energy: -218.904
Base-Backbone interact. energy: -2.726
local terms energy: -253.225345
where:
bonds (distance) C4'-P energy: -52.567
bonds (distance) P-C4' energy: -47.660
flat angles C4'-P-C4' energy: -50.745
flat angles P-C4'-P energy: -37.929
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: 5, replica: 2
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -725.532726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.532726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.532726 (E_RNA)
where:
Base-Base interactions energy: -491.821
where: short stacking energy: -197.445
Base-Backbone interact. energy: -2.121
local terms energy: -231.590573
where:
bonds (distance) C4'-P energy: -44.906
bonds (distance) P-C4' energy: -46.204
flat angles C4'-P-C4' energy: -50.455
flat angles P-C4'-P energy: -39.977
tors. eta vs tors. theta energy: -50.049
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: 6, replica: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -742.871012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.871012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.871012 (E_RNA)
where:
Base-Base interactions energy: -489.802
where: short stacking energy: -203.876
Base-Backbone interact. energy: 0.721
local terms energy: -253.789198
where:
bonds (distance) C4'-P energy: -50.419
bonds (distance) P-C4' energy: -51.339
flat angles C4'-P-C4' energy: -51.186
flat angles P-C4'-P energy: -37.538
tors. eta vs tors. theta energy: -63.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -475.523267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.523267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.523267 (E_RNA)
where:
Base-Base interactions energy: -266.062
where: short stacking energy: -147.169
Base-Backbone interact. energy: -0.774
local terms energy: -208.687785
where:
bonds (distance) C4'-P energy: -47.952
bonds (distance) P-C4' energy: -54.748
flat angles C4'-P-C4' energy: -43.957
flat angles P-C4'-P energy: -32.723
tors. eta vs tors. theta energy: -29.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -449.521479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.521479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.521479 (E_RNA)
where:
Base-Base interactions energy: -264.789
where: short stacking energy: -125.642
Base-Backbone interact. energy: -0.541
local terms energy: -184.191210
where:
bonds (distance) C4'-P energy: -47.669
bonds (distance) P-C4' energy: -51.455
flat angles C4'-P-C4' energy: -40.235
flat angles P-C4'-P energy: -23.913
tors. eta vs tors. theta energy: -20.920
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: 9, replica: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -325.222265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.222265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.222265 (E_RNA)
where:
Base-Base interactions energy: -156.440
where: short stacking energy: -94.123
Base-Backbone interact. energy: 2.815
local terms energy: -171.596993
where:
bonds (distance) C4'-P energy: -39.444
bonds (distance) P-C4' energy: -49.778
flat angles C4'-P-C4' energy: -53.975
flat angles P-C4'-P energy: -27.604
tors. eta vs tors. theta energy: -0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -210.131422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.131422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.131422 (E_RNA)
where:
Base-Base interactions energy: -79.982
where: short stacking energy: -62.906
Base-Backbone interact. energy: 1.680
local terms energy: -131.828861
where:
bonds (distance) C4'-P energy: -42.273
bonds (distance) P-C4' energy: -51.019
flat angles C4'-P-C4' energy: -42.611
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: 10.498
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: 1, replica: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -957.884384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.884384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.884384 (E_RNA)
where:
Base-Base interactions energy: -664.553
where: short stacking energy: -286.468
Base-Backbone interact. energy: -0.416
local terms energy: -292.914998
where:
bonds (distance) C4'-P energy: -51.939
bonds (distance) P-C4' energy: -58.748
flat angles C4'-P-C4' energy: -59.005
flat angles P-C4'-P energy: -40.208
tors. eta vs tors. theta energy: -83.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -883.795708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.795708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.795708 (E_RNA)
where:
Base-Base interactions energy: -628.704
where: short stacking energy: -260.242
Base-Backbone interact. energy: -1.995
local terms energy: -253.097206
where:
bonds (distance) C4'-P energy: -41.512
bonds (distance) P-C4' energy: -48.365
flat angles C4'-P-C4' energy: -56.304
flat angles P-C4'-P energy: -32.485
tors. eta vs tors. theta energy: -74.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -867.292046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.292046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.292046 (E_RNA)
where:
Base-Base interactions energy: -601.732
where: short stacking energy: -246.326
Base-Backbone interact. energy: -1.707
local terms energy: -263.853309
where:
bonds (distance) C4'-P energy: -35.138
bonds (distance) P-C4' energy: -58.082
flat angles C4'-P-C4' energy: -52.281
flat angles P-C4'-P energy: -39.098
tors. eta vs tors. theta energy: -79.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -740.991970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.991970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.991970 (E_RNA)
where:
Base-Base interactions energy: -503.435
where: short stacking energy: -224.480
Base-Backbone interact. energy: -0.656
local terms energy: -236.901520
where:
bonds (distance) C4'-P energy: -45.550
bonds (distance) P-C4' energy: -45.056
flat angles C4'-P-C4' energy: -46.148
flat angles P-C4'-P energy: -39.237
tors. eta vs tors. theta energy: -60.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -778.120137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.120137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.120137 (E_RNA)
where:
Base-Base interactions energy: -521.540
where: short stacking energy: -236.776
Base-Backbone interact. energy: -0.577
local terms energy: -256.003568
where:
bonds (distance) C4'-P energy: -52.402
bonds (distance) P-C4' energy: -49.589
flat angles C4'-P-C4' energy: -52.869
flat angles P-C4'-P energy: -37.347
tors. eta vs tors. theta energy: -63.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -719.620990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.620990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.620990 (E_RNA)
where:
Base-Base interactions energy: -496.712
where: short stacking energy: -218.102
Base-Backbone interact. energy: -0.552
local terms energy: -222.357084
where:
bonds (distance) C4'-P energy: -41.975
bonds (distance) P-C4' energy: -44.834
flat angles C4'-P-C4' energy: -45.319
flat angles P-C4'-P energy: -31.691
tors. eta vs tors. theta energy: -58.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -515.336399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.336399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.336399 (E_RNA)
where:
Base-Base interactions energy: -298.078
where: short stacking energy: -162.227
Base-Backbone interact. energy: -1.108
local terms energy: -216.150662
where:
bonds (distance) C4'-P energy: -57.985
bonds (distance) P-C4' energy: -40.941
flat angles C4'-P-C4' energy: -49.789
flat angles P-C4'-P energy: -33.866
tors. eta vs tors. theta energy: -33.569
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: 7
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -476.984473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.984473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.984473 (E_RNA)
where:
Base-Base interactions energy: -272.390
where: short stacking energy: -136.121
Base-Backbone interact. energy: 1.854
local terms energy: -206.448939
where:
bonds (distance) C4'-P energy: -49.993
bonds (distance) P-C4' energy: -47.636
flat angles C4'-P-C4' energy: -44.583
flat angles P-C4'-P energy: -30.293
tors. eta vs tors. theta energy: -33.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -331.860370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.860370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.860370 (E_RNA)
where:
Base-Base interactions energy: -156.642
where: short stacking energy: -108.501
Base-Backbone interact. energy: -0.923
local terms energy: -174.295215
where:
bonds (distance) C4'-P energy: -40.763
bonds (distance) P-C4' energy: -50.564
flat angles C4'-P-C4' energy: -47.754
flat angles P-C4'-P energy: -21.803
tors. eta vs tors. theta energy: -13.412
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: 437
Temperature: 1.350000
Total energy: -224.327194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.327194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.327194 (E_RNA)
where:
Base-Base interactions energy: -83.410
where: short stacking energy: -77.575
Base-Backbone interact. energy: 0.201
local terms energy: -141.118475
where:
bonds (distance) C4'-P energy: -35.061
bonds (distance) P-C4' energy: -48.455
flat angles C4'-P-C4' energy: -37.778
flat angles P-C4'-P energy: -24.242
tors. eta vs tors. theta energy: 4.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -949.769774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.769774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.769774 (E_RNA)
where:
Base-Base interactions energy: -667.176
where: short stacking energy: -282.332
Base-Backbone interact. energy: 1.567
local terms energy: -284.161110
where:
bonds (distance) C4'-P energy: -49.395
bonds (distance) P-C4' energy: -55.818
flat angles C4'-P-C4' energy: -62.789
flat angles P-C4'-P energy: -29.927
tors. eta vs tors. theta energy: -86.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -884.077513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.077513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.077513 (E_RNA)
where:
Base-Base interactions energy: -623.781
where: short stacking energy: -278.843
Base-Backbone interact. energy: -1.292
local terms energy: -259.004682
where:
bonds (distance) C4'-P energy: -48.745
bonds (distance) P-C4' energy: -38.953
flat angles C4'-P-C4' energy: -53.776
flat angles P-C4'-P energy: -38.153
tors. eta vs tors. theta energy: -79.378
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: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -874.549939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.549939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.549939 (E_RNA)
where:
Base-Base interactions energy: -604.198
where: short stacking energy: -241.355
Base-Backbone interact. energy: -1.897
local terms energy: -268.455181
where:
bonds (distance) C4'-P energy: -52.877
bonds (distance) P-C4' energy: -59.653
flat angles C4'-P-C4' energy: -47.020
flat angles P-C4'-P energy: -38.842
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: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -775.739008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.739008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.739008 (E_RNA)
where:
Base-Base interactions energy: -525.550
where: short stacking energy: -209.479
Base-Backbone interact. energy: -0.714
local terms energy: -249.474760
where:
bonds (distance) C4'-P energy: -50.360
bonds (distance) P-C4' energy: -48.951
flat angles C4'-P-C4' energy: -59.584
flat angles P-C4'-P energy: -34.895
tors. eta vs tors. theta energy: -55.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -796.202453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.202453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.202453 (E_RNA)
where:
Base-Base interactions energy: -524.420
where: short stacking energy: -230.199
Base-Backbone interact. energy: -1.117
local terms energy: -270.666311
where:
bonds (distance) C4'-P energy: -52.788
bonds (distance) P-C4' energy: -48.814
flat angles C4'-P-C4' energy: -63.446
flat angles P-C4'-P energy: -36.392
tors. eta vs tors. theta energy: -69.227
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: 438
Temperature: 1.150000
Total energy: -719.316641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.316641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.316641 (E_RNA)
where:
Base-Base interactions energy: -472.557
where: short stacking energy: -215.982
Base-Backbone interact. energy: -1.012
local terms energy: -245.747419
where:
bonds (distance) C4'-P energy: -46.651
bonds (distance) P-C4' energy: -43.001
flat angles C4'-P-C4' energy: -55.629
flat angles P-C4'-P energy: -36.432
tors. eta vs tors. theta energy: -64.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -461.718287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.718287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.718287 (E_RNA)
where:
Base-Base interactions energy: -271.475
where: short stacking energy: -140.625
Base-Backbone interact. energy: 0.375
local terms energy: -190.618539
where:
bonds (distance) C4'-P energy: -40.085
bonds (distance) P-C4' energy: -49.650
flat angles C4'-P-C4' energy: -44.397
flat angles P-C4'-P energy: -28.397
tors. eta vs tors. theta energy: -28.089
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: 8, replica: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -485.072927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.072927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.072927 (E_RNA)
where:
Base-Base interactions energy: -306.705
where: short stacking energy: -143.390
Base-Backbone interact. energy: -0.974
local terms energy: -177.393577
where:
bonds (distance) C4'-P energy: -36.671
bonds (distance) P-C4' energy: -44.924
flat angles C4'-P-C4' energy: -47.163
flat angles P-C4'-P energy: -31.833
tors. eta vs tors. theta energy: -16.803
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: 438
Temperature: 1.300000
Total energy: -315.397473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.397473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.397473 (E_RNA)
where:
Base-Base interactions energy: -146.084
where: short stacking energy: -86.965
Base-Backbone interact. energy: -0.349
local terms energy: -168.964568
where:
bonds (distance) C4'-P energy: -42.457
bonds (distance) P-C4' energy: -45.558
flat angles C4'-P-C4' energy: -46.288
flat angles P-C4'-P energy: -33.077
tors. eta vs tors. theta energy: -1.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -235.834930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.834930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.834930 (E_RNA)
where:
Base-Base interactions energy: -70.363
where: short stacking energy: -66.525
Base-Backbone interact. energy: -1.177
local terms energy: -164.294959
where:
bonds (distance) C4'-P energy: -49.224
bonds (distance) P-C4' energy: -47.998
flat angles C4'-P-C4' energy: -47.930
flat angles P-C4'-P energy: -25.659
tors. eta vs tors. theta energy: 6.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -943.601429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.601429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.601429 (E_RNA)
where:
Base-Base interactions energy: -643.471
where: short stacking energy: -262.276
Base-Backbone interact. energy: -2.282
local terms energy: -297.849146
where:
bonds (distance) C4'-P energy: -51.784
bonds (distance) P-C4' energy: -61.834
flat angles C4'-P-C4' energy: -62.274
flat angles P-C4'-P energy: -44.655
tors. eta vs tors. theta energy: -77.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -898.930624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.930624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.930624 (E_RNA)
where:
Base-Base interactions energy: -620.451
where: short stacking energy: -255.922
Base-Backbone interact. energy: 1.248
local terms energy: -279.727474
where:
bonds (distance) C4'-P energy: -40.941
bonds (distance) P-C4' energy: -57.661
flat angles C4'-P-C4' energy: -61.925
flat angles P-C4'-P energy: -38.442
tors. eta vs tors. theta energy: -80.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -885.188004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.188004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.188004 (E_RNA)
where:
Base-Base interactions energy: -614.357
where: short stacking energy: -257.557
Base-Backbone interact. energy: -0.633
local terms energy: -270.197616
where:
bonds (distance) C4'-P energy: -40.723
bonds (distance) P-C4' energy: -53.343
flat angles C4'-P-C4' energy: -62.995
flat angles P-C4'-P energy: -35.892
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: 4, replica: 10
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -838.519985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.519985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.519985 (E_RNA)
where:
Base-Base interactions energy: -562.855
where: short stacking energy: -255.078
Base-Backbone interact. energy: -0.317
local terms energy: -275.348154
where:
bonds (distance) C4'-P energy: -52.787
bonds (distance) P-C4' energy: -51.007
flat angles C4'-P-C4' energy: -57.013
flat angles P-C4'-P energy: -38.428
tors. eta vs tors. theta energy: -76.113
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: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -790.475109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.475109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.475109 (E_RNA)
where:
Base-Base interactions energy: -537.280
where: short stacking energy: -232.640
Base-Backbone interact. energy: -0.634
local terms energy: -252.561156
where:
bonds (distance) C4'-P energy: -46.970
bonds (distance) P-C4' energy: -52.519
flat angles C4'-P-C4' energy: -48.070
flat angles P-C4'-P energy: -40.380
tors. eta vs tors. theta energy: -64.622
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: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -729.188763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.188763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.188763 (E_RNA)
where:
Base-Base interactions energy: -478.889
where: short stacking energy: -215.510
Base-Backbone interact. energy: -0.890
local terms energy: -249.410234
where:
bonds (distance) C4'-P energy: -40.985
bonds (distance) P-C4' energy: -50.223
flat angles C4'-P-C4' energy: -54.362
flat angles P-C4'-P energy: -42.206
tors. eta vs tors. theta energy: -61.634
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: 439
Temperature: 1.200000
Total energy: -463.996991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.996991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.996991 (E_RNA)
where:
Base-Base interactions energy: -259.519
where: short stacking energy: -143.523
Base-Backbone interact. energy: -0.827
local terms energy: -203.650554
where:
bonds (distance) C4'-P energy: -48.267
bonds (distance) P-C4' energy: -43.390
flat angles C4'-P-C4' energy: -40.532
flat angles P-C4'-P energy: -36.584
tors. eta vs tors. theta energy: -34.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -492.404867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.404867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.404867 (E_RNA)
where:
Base-Base interactions energy: -289.729
where: short stacking energy: -138.206
Base-Backbone interact. energy: -0.433
local terms energy: -202.243498
where:
bonds (distance) C4'-P energy: -54.380
bonds (distance) P-C4' energy: -42.809
flat angles C4'-P-C4' energy: -53.116
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -26.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -300.775531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.775531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.775531 (E_RNA)
where:
Base-Base interactions energy: -129.046
where: short stacking energy: -82.174
Base-Backbone interact. energy: -0.703
local terms energy: -171.026432
where:
bonds (distance) C4'-P energy: -49.085
bonds (distance) P-C4' energy: -55.373
flat angles C4'-P-C4' energy: -35.347
flat angles P-C4'-P energy: -22.523
tors. eta vs tors. theta energy: -8.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -234.342195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.342195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.342195 (E_RNA)
where:
Base-Base interactions energy: -77.176
where: short stacking energy: -71.556
Base-Backbone interact. energy: 0.606
local terms energy: -157.772208
where:
bonds (distance) C4'-P energy: -39.049
bonds (distance) P-C4' energy: -50.514
flat angles C4'-P-C4' energy: -42.422
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -6.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -965.206590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.206590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.206590 (E_RNA)
where:
Base-Base interactions energy: -678.138
where: short stacking energy: -278.238
Base-Backbone interact. energy: -2.596
local terms energy: -284.473079
where:
bonds (distance) C4'-P energy: -50.448
bonds (distance) P-C4' energy: -53.178
flat angles C4'-P-C4' energy: -60.858
flat angles P-C4'-P energy: -37.484
tors. eta vs tors. theta energy: -82.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -899.013371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.013371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.013371 (E_RNA)
where:
Base-Base interactions energy: -623.736
where: short stacking energy: -261.086
Base-Backbone interact. energy: 0.273
local terms energy: -275.549694
where:
bonds (distance) C4'-P energy: -50.812
bonds (distance) P-C4' energy: -52.299
flat angles C4'-P-C4' energy: -53.360
flat angles P-C4'-P energy: -39.900
tors. eta vs tors. theta energy: -79.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -876.395553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.395553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.395553 (E_RNA)
where:
Base-Base interactions energy: -616.286
where: short stacking energy: -256.348
Base-Backbone interact. energy: -0.313
local terms energy: -259.796087
where:
bonds (distance) C4'-P energy: -40.382
bonds (distance) P-C4' energy: -52.231
flat angles C4'-P-C4' energy: -56.797
flat angles P-C4'-P energy: -36.975
tors. eta vs tors. theta energy: -73.412
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: 440
Temperature: 1.050000
Total energy: -816.525340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.525340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.525340 (E_RNA)
where:
Base-Base interactions energy: -544.362
where: short stacking energy: -240.112
Base-Backbone interact. energy: -2.265
local terms energy: -269.898826
where:
bonds (distance) C4'-P energy: -53.823
bonds (distance) P-C4' energy: -49.571
flat angles C4'-P-C4' energy: -58.455
flat angles P-C4'-P energy: -38.708
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: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -762.532464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.532464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.532464 (E_RNA)
where:
Base-Base interactions energy: -526.105
where: short stacking energy: -225.000
Base-Backbone interact. energy: 0.700
local terms energy: -237.128064
where:
bonds (distance) C4'-P energy: -40.074
bonds (distance) P-C4' energy: -47.490
flat angles C4'-P-C4' energy: -48.789
flat angles P-C4'-P energy: -31.732
tors. eta vs tors. theta energy: -69.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -722.024403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.024403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.024403 (E_RNA)
where:
Base-Base interactions energy: -480.827
where: short stacking energy: -210.897
Base-Backbone interact. energy: -2.030
local terms energy: -239.167564
where:
bonds (distance) C4'-P energy: -50.960
bonds (distance) P-C4' energy: -42.859
flat angles C4'-P-C4' energy: -56.585
flat angles P-C4'-P energy: -34.109
tors. eta vs tors. theta energy: -54.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -535.778008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.778008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.778008 (E_RNA)
where:
Base-Base interactions energy: -327.557
where: short stacking energy: -150.240
Base-Backbone interact. energy: 0.768
local terms energy: -208.988997
where:
bonds (distance) C4'-P energy: -42.498
bonds (distance) P-C4' energy: -43.328
flat angles C4'-P-C4' energy: -59.681
flat angles P-C4'-P energy: -35.782
tors. eta vs tors. theta energy: -27.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -503.076476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.076476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.076476 (E_RNA)
where:
Base-Base interactions energy: -303.022
where: short stacking energy: -164.480
Base-Backbone interact. energy: -0.521
local terms energy: -199.533135
where:
bonds (distance) C4'-P energy: -52.886
bonds (distance) P-C4' energy: -48.609
flat angles C4'-P-C4' energy: -40.834
flat angles P-C4'-P energy: -27.243
tors. eta vs tors. theta energy: -29.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -322.563423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.563423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.563423 (E_RNA)
where:
Base-Base interactions energy: -166.305
where: short stacking energy: -105.507
Base-Backbone interact. energy: -1.155
local terms energy: -155.103704
where:
bonds (distance) C4'-P energy: -38.785
bonds (distance) P-C4' energy: -49.205
flat angles C4'-P-C4' energy: -41.975
flat angles P-C4'-P energy: -22.002
tors. eta vs tors. theta energy: -3.135
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: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -218.355039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.355039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.355039 (E_RNA)
where:
Base-Base interactions energy: -77.191
where: short stacking energy: -70.356
Base-Backbone interact. energy: -1.424
local terms energy: -139.739533
where:
bonds (distance) C4'-P energy: -35.974
bonds (distance) P-C4' energy: -44.497
flat angles C4'-P-C4' energy: -35.459
flat angles P-C4'-P energy: -21.873
tors. eta vs tors. theta energy: -1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -952.370426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.370426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.370426 (E_RNA)
where:
Base-Base interactions energy: -665.627
where: short stacking energy: -280.229
Base-Backbone interact. energy: -1.063
local terms energy: -285.680146
where:
bonds (distance) C4'-P energy: -48.270
bonds (distance) P-C4' energy: -55.742
flat angles C4'-P-C4' energy: -57.239
flat angles P-C4'-P energy: -42.869
tors. eta vs tors. theta energy: -81.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -914.993669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.993669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.993669 (E_RNA)
where:
Base-Base interactions energy: -631.296
where: short stacking energy: -252.342
Base-Backbone interact. energy: -1.791
local terms energy: -281.906560
where:
bonds (distance) C4'-P energy: -56.252
bonds (distance) P-C4' energy: -56.121
flat angles C4'-P-C4' energy: -54.255
flat angles P-C4'-P energy: -37.556
tors. eta vs tors. theta energy: -77.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -867.531434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.531434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.531434 (E_RNA)
where:
Base-Base interactions energy: -602.434
where: short stacking energy: -256.134
Base-Backbone interact. energy: -1.160
local terms energy: -263.937478
where:
bonds (distance) C4'-P energy: -43.991
bonds (distance) P-C4' energy: -49.927
flat angles C4'-P-C4' energy: -58.061
flat angles P-C4'-P energy: -35.082
tors. eta vs tors. theta energy: -76.877
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: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -782.458638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.458638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.458638 (E_RNA)
where:
Base-Base interactions energy: -522.817
where: short stacking energy: -236.162
Base-Backbone interact. energy: 1.174
local terms energy: -260.815980
where:
bonds (distance) C4'-P energy: -47.757
bonds (distance) P-C4' energy: -58.149
flat angles C4'-P-C4' energy: -57.349
flat angles P-C4'-P energy: -33.256
tors. eta vs tors. theta energy: -64.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -791.156140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.156140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.156140 (E_RNA)
where:
Base-Base interactions energy: -533.132
where: short stacking energy: -241.992
Base-Backbone interact. energy: -1.379
local terms energy: -256.644502
where:
bonds (distance) C4'-P energy: -50.531
bonds (distance) P-C4' energy: -47.357
flat angles C4'-P-C4' energy: -61.790
flat angles P-C4'-P energy: -27.928
tors. eta vs tors. theta energy: -69.039
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: 441
Temperature: 1.150000
Total energy: -715.893487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.893487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.893487 (E_RNA)
where:
Base-Base interactions energy: -472.303
where: short stacking energy: -206.048
Base-Backbone interact. energy: 0.047
local terms energy: -243.637602
where:
bonds (distance) C4'-P energy: -45.413
bonds (distance) P-C4' energy: -48.010
flat angles C4'-P-C4' energy: -55.062
flat angles P-C4'-P energy: -31.656
tors. eta vs tors. theta energy: -63.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -527.712829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.712829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.712829 (E_RNA)
where:
Base-Base interactions energy: -328.558
where: short stacking energy: -164.002
Base-Backbone interact. energy: -0.824
local terms energy: -198.330921
where:
bonds (distance) C4'-P energy: -38.523
bonds (distance) P-C4' energy: -45.283
flat angles C4'-P-C4' energy: -39.816
flat angles P-C4'-P energy: -31.904
tors. eta vs tors. theta energy: -42.805
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: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -521.396049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.396049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.396049 (E_RNA)
where:
Base-Base interactions energy: -315.186
where: short stacking energy: -161.849
Base-Backbone interact. energy: -1.503
local terms energy: -204.706633
where:
bonds (distance) C4'-P energy: -46.664
bonds (distance) P-C4' energy: -54.282
flat angles C4'-P-C4' energy: -38.853
flat angles P-C4'-P energy: -27.722
tors. eta vs tors. theta energy: -37.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -311.134206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.134206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.134206 (E_RNA)
where:
Base-Base interactions energy: -161.939
where: short stacking energy: -102.619
Base-Backbone interact. energy: -1.325
local terms energy: -147.869959
where:
bonds (distance) C4'-P energy: -37.909
bonds (distance) P-C4' energy: -34.037
flat angles C4'-P-C4' energy: -42.656
flat angles P-C4'-P energy: -29.093
tors. eta vs tors. theta energy: -4.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -222.605069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.605069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.605069 (E_RNA)
where:
Base-Base interactions energy: -90.190
where: short stacking energy: -64.221
Base-Backbone interact. energy: -0.766
local terms energy: -131.649265
where:
bonds (distance) C4'-P energy: -43.238
bonds (distance) P-C4' energy: -38.043
flat angles C4'-P-C4' energy: -46.659
flat angles P-C4'-P energy: -15.559
tors. eta vs tors. theta energy: 11.850
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: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -932.893752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.893752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.893752 (E_RNA)
where:
Base-Base interactions energy: -653.150
where: short stacking energy: -268.269
Base-Backbone interact. energy: -0.522
local terms energy: -279.221725
where:
bonds (distance) C4'-P energy: -50.546
bonds (distance) P-C4' energy: -56.834
flat angles C4'-P-C4' energy: -57.442
flat angles P-C4'-P energy: -39.412
tors. eta vs tors. theta energy: -74.988
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: 3
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -935.463441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.463441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.463441 (E_RNA)
where:
Base-Base interactions energy: -658.242
where: short stacking energy: -271.984
Base-Backbone interact. energy: -1.197
local terms energy: -276.024354
where:
bonds (distance) C4'-P energy: -54.207
bonds (distance) P-C4' energy: -50.432
flat angles C4'-P-C4' energy: -62.604
flat angles P-C4'-P energy: -33.105
tors. eta vs tors. theta energy: -75.676
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: 3, replica: 5
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -897.294039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.294039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.294039 (E_RNA)
where:
Base-Base interactions energy: -619.447
where: short stacking energy: -256.297
Base-Backbone interact. energy: 0.062
local terms energy: -277.909057
where:
bonds (distance) C4'-P energy: -48.508
bonds (distance) P-C4' energy: -48.341
flat angles C4'-P-C4' energy: -59.642
flat angles P-C4'-P energy: -37.871
tors. eta vs tors. theta energy: -83.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -813.401417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.401417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.401417 (E_RNA)
where:
Base-Base interactions energy: -563.201
where: short stacking energy: -236.706
Base-Backbone interact. energy: -1.791
local terms energy: -248.409084
where:
bonds (distance) C4'-P energy: -42.453
bonds (distance) P-C4' energy: -54.156
flat angles C4'-P-C4' energy: -47.089
flat angles P-C4'-P energy: -36.102
tors. eta vs tors. theta energy: -68.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -779.457699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.457699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.457699 (E_RNA)
where:
Base-Base interactions energy: -522.761
where: short stacking energy: -236.717
Base-Backbone interact. energy: -0.307
local terms energy: -256.389346
where:
bonds (distance) C4'-P energy: -49.242
bonds (distance) P-C4' energy: -44.946
flat angles C4'-P-C4' energy: -58.553
flat angles P-C4'-P energy: -38.324
tors. eta vs tors. theta energy: -65.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -743.183578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.183578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.183578 (E_RNA)
where:
Base-Base interactions energy: -514.450
where: short stacking energy: -220.291
Base-Backbone interact. energy: -1.624
local terms energy: -227.109851
where:
bonds (distance) C4'-P energy: -47.546
bonds (distance) P-C4' energy: -37.558
flat angles C4'-P-C4' energy: -42.020
flat angles P-C4'-P energy: -38.751
tors. eta vs tors. theta energy: -61.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -534.055821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.055821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.055821 (E_RNA)
where:
Base-Base interactions energy: -319.734
where: short stacking energy: -145.483
Base-Backbone interact. energy: -0.217
local terms energy: -214.104826
where:
bonds (distance) C4'-P energy: -31.730
bonds (distance) P-C4' energy: -51.303
flat angles C4'-P-C4' energy: -53.165
flat angles P-C4'-P energy: -35.877
tors. eta vs tors. theta energy: -42.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -503.888480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.888480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.888480 (E_RNA)
where:
Base-Base interactions energy: -297.135
where: short stacking energy: -144.460
Base-Backbone interact. energy: 1.080
local terms energy: -207.833795
where:
bonds (distance) C4'-P energy: -41.189
bonds (distance) P-C4' energy: -56.197
flat angles C4'-P-C4' energy: -46.899
flat angles P-C4'-P energy: -27.119
tors. eta vs tors. theta energy: -36.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -249.105697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.105697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.105697 (E_RNA)
where:
Base-Base interactions energy: -89.062
where: short stacking energy: -64.948
Base-Backbone interact. energy: 4.127
local terms energy: -164.170737
where:
bonds (distance) C4'-P energy: -42.185
bonds (distance) P-C4' energy: -51.049
flat angles C4'-P-C4' energy: -40.213
flat angles P-C4'-P energy: -31.634
tors. eta vs tors. theta energy: 0.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -287.714108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.714108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.714108 (E_RNA)
where:
Base-Base interactions energy: -122.268
where: short stacking energy: -84.667
Base-Backbone interact. energy: 1.248
local terms energy: -166.694211
where:
bonds (distance) C4'-P energy: -39.295
bonds (distance) P-C4' energy: -49.314
flat angles C4'-P-C4' energy: -45.295
flat angles P-C4'-P energy: -26.642
tors. eta vs tors. theta energy: -6.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -926.029409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.029409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.029409 (E_RNA)
where:
Base-Base interactions energy: -651.564
where: short stacking energy: -273.290
Base-Backbone interact. energy: -1.595
local terms energy: -272.869903
where:
bonds (distance) C4'-P energy: -43.346
bonds (distance) P-C4' energy: -50.902
flat angles C4'-P-C4' energy: -57.827
flat angles P-C4'-P energy: -40.299
tors. eta vs tors. theta energy: -80.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -919.369168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.369168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.369168 (E_RNA)
where:
Base-Base interactions energy: -617.372
where: short stacking energy: -274.797
Base-Backbone interact. energy: -0.659
local terms energy: -301.338542
where:
bonds (distance) C4'-P energy: -57.344
bonds (distance) P-C4' energy: -55.056
flat angles C4'-P-C4' energy: -62.437
flat angles P-C4'-P energy: -42.379
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: 3, replica: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -917.348094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.348094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.348094 (E_RNA)
where:
Base-Base interactions energy: -632.546
where: short stacking energy: -268.728
Base-Backbone interact. energy: -0.898
local terms energy: -283.904039
where:
bonds (distance) C4'-P energy: -51.278
bonds (distance) P-C4' energy: -50.141
flat angles C4'-P-C4' energy: -61.414
flat angles P-C4'-P energy: -39.692
tors. eta vs tors. theta energy: -81.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -790.402418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.402418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.402418 (E_RNA)
where:
Base-Base interactions energy: -533.221
where: short stacking energy: -222.379
Base-Backbone interact. energy: -0.599
local terms energy: -256.582044
where:
bonds (distance) C4'-P energy: -51.375
bonds (distance) P-C4' energy: -53.271
flat angles C4'-P-C4' energy: -54.914
flat angles P-C4'-P energy: -36.258
tors. eta vs tors. theta energy: -60.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -786.078886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.078886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.078886 (E_RNA)
where:
Base-Base interactions energy: -529.021
where: short stacking energy: -236.945
Base-Backbone interact. energy: 0.264
local terms energy: -257.322189
where:
bonds (distance) C4'-P energy: -46.816
bonds (distance) P-C4' energy: -52.269
flat angles C4'-P-C4' energy: -55.204
flat angles P-C4'-P energy: -34.425
tors. eta vs tors. theta energy: -68.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -736.923648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.923648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.923648 (E_RNA)
where:
Base-Base interactions energy: -499.530
where: short stacking energy: -228.884
Base-Backbone interact. energy: -1.577
local terms energy: -235.816556
where:
bonds (distance) C4'-P energy: -44.281
bonds (distance) P-C4' energy: -48.067
flat angles C4'-P-C4' energy: -55.618
flat angles P-C4'-P energy: -27.713
tors. eta vs tors. theta energy: -60.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -544.751754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.751754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.751754 (E_RNA)
where:
Base-Base interactions energy: -335.699
where: short stacking energy: -159.149
Base-Backbone interact. energy: -2.173
local terms energy: -206.879814
where:
bonds (distance) C4'-P energy: -48.064
bonds (distance) P-C4' energy: -43.317
flat angles C4'-P-C4' energy: -48.118
flat angles P-C4'-P energy: -34.387
tors. eta vs tors. theta energy: -32.993
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: 443
Temperature: 1.250000
Total energy: -537.075581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.075581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.075581 (E_RNA)
where:
Base-Base interactions energy: -322.355
where: short stacking energy: -143.291
Base-Backbone interact. energy: -1.211
local terms energy: -213.510123
where:
bonds (distance) C4'-P energy: -40.489
bonds (distance) P-C4' energy: -48.392
flat angles C4'-P-C4' energy: -54.325
flat angles P-C4'-P energy: -26.003
tors. eta vs tors. theta energy: -44.301
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: 443
Temperature: 1.300000
Total energy: -247.943297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.943297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.943297 (E_RNA)
where:
Base-Base interactions energy: -98.597
where: short stacking energy: -89.990
Base-Backbone interact. energy: -2.540
local terms energy: -146.806651
where:
bonds (distance) C4'-P energy: -51.729
bonds (distance) P-C4' energy: -53.197
flat angles C4'-P-C4' energy: -33.886
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: 6.135
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: 443
Temperature: 1.350000
Total energy: -299.637010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.637010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.637010 (E_RNA)
where:
Base-Base interactions energy: -154.603
where: short stacking energy: -78.165
Base-Backbone interact. energy: 2.332
local terms energy: -147.366092
where:
bonds (distance) C4'-P energy: -47.432
bonds (distance) P-C4' energy: -38.433
flat angles C4'-P-C4' energy: -52.264
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: 2.182
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: 1, replica: 1
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -941.157830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.157830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.157830 (E_RNA)
where:
Base-Base interactions energy: -647.222
where: short stacking energy: -277.874
Base-Backbone interact. energy: -1.364
local terms energy: -292.571815
where:
bonds (distance) C4'-P energy: -52.982
bonds (distance) P-C4' energy: -61.996
flat angles C4'-P-C4' energy: -59.741
flat angles P-C4'-P energy: -34.969
tors. eta vs tors. theta energy: -82.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -913.860827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.860827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.860827 (E_RNA)
where:
Base-Base interactions energy: -635.247
where: short stacking energy: -264.967
Base-Backbone interact. energy: -1.872
local terms energy: -276.741831
where:
bonds (distance) C4'-P energy: -45.658
bonds (distance) P-C4' energy: -53.913
flat angles C4'-P-C4' energy: -61.648
flat angles P-C4'-P energy: -38.454
tors. eta vs tors. theta energy: -77.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -911.770358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.770358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.770358 (E_RNA)
where:
Base-Base interactions energy: -636.039
where: short stacking energy: -263.009
Base-Backbone interact. energy: -2.907
local terms energy: -272.824224
where:
bonds (distance) C4'-P energy: -51.075
bonds (distance) P-C4' energy: -54.860
flat angles C4'-P-C4' energy: -54.994
flat angles P-C4'-P energy: -40.643
tors. eta vs tors. theta energy: -71.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -802.888088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.888088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.888088 (E_RNA)
where:
Base-Base interactions energy: -537.913
where: short stacking energy: -241.057
Base-Backbone interact. energy: 3.495
local terms energy: -268.469891
where:
bonds (distance) C4'-P energy: -47.168
bonds (distance) P-C4' energy: -51.065
flat angles C4'-P-C4' energy: -57.015
flat angles P-C4'-P energy: -44.893
tors. eta vs tors. theta energy: -68.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -761.668124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.668124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.668124 (E_RNA)
where:
Base-Base interactions energy: -506.051
where: short stacking energy: -217.580
Base-Backbone interact. energy: -1.784
local terms energy: -253.833641
where:
bonds (distance) C4'-P energy: -41.381
bonds (distance) P-C4' energy: -56.603
flat angles C4'-P-C4' energy: -56.254
flat angles P-C4'-P energy: -39.028
tors. eta vs tors. theta energy: -60.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -707.828172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.828172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.828172 (E_RNA)
where:
Base-Base interactions energy: -469.803
where: short stacking energy: -198.045
Base-Backbone interact. energy: -0.539
local terms energy: -237.487040
where:
bonds (distance) C4'-P energy: -41.354
bonds (distance) P-C4' energy: -53.393
flat angles C4'-P-C4' energy: -52.424
flat angles P-C4'-P energy: -34.621
tors. eta vs tors. theta energy: -55.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -583.754190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.754190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.754190 (E_RNA)
where:
Base-Base interactions energy: -379.931
where: short stacking energy: -185.149
Base-Backbone interact. energy: -0.070
local terms energy: -203.753116
where:
bonds (distance) C4'-P energy: -48.504
bonds (distance) P-C4' energy: -38.692
flat angles C4'-P-C4' energy: -50.832
flat angles P-C4'-P energy: -27.515
tors. eta vs tors. theta energy: -38.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -508.990777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.990777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.990777 (E_RNA)
where:
Base-Base interactions energy: -308.190
where: short stacking energy: -135.746
Base-Backbone interact. energy: 0.041
local terms energy: -200.841543
where:
bonds (distance) C4'-P energy: -41.436
bonds (distance) P-C4' energy: -41.906
flat angles C4'-P-C4' energy: -51.344
flat angles P-C4'-P energy: -37.211
tors. eta vs tors. theta energy: -28.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -309.996392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.996392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.996392 (E_RNA)
where:
Base-Base interactions energy: -141.649
where: short stacking energy: -82.654
Base-Backbone interact. energy: -0.748
local terms energy: -167.599136
where:
bonds (distance) C4'-P energy: -37.034
bonds (distance) P-C4' energy: -50.980
flat angles C4'-P-C4' energy: -44.263
flat angles P-C4'-P energy: -28.451
tors. eta vs tors. theta energy: -6.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -232.637552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.637552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.637552 (E_RNA)
where:
Base-Base interactions energy: -75.526
where: short stacking energy: -54.860
Base-Backbone interact. energy: -1.379
local terms energy: -155.732628
where:
bonds (distance) C4'-P energy: -55.720
bonds (distance) P-C4' energy: -49.072
flat angles C4'-P-C4' energy: -31.699
flat angles P-C4'-P energy: -28.650
tors. eta vs tors. theta energy: 9.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -944.617202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.617202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.617202 (E_RNA)
where:
Base-Base interactions energy: -650.796
where: short stacking energy: -264.931
Base-Backbone interact. energy: -0.412
local terms energy: -293.409353
where:
bonds (distance) C4'-P energy: -54.367
bonds (distance) P-C4' energy: -53.760
flat angles C4'-P-C4' energy: -59.757
flat angles P-C4'-P energy: -42.228
tors. eta vs tors. theta energy: -83.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -930.912077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.912077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.912077 (E_RNA)
where:
Base-Base interactions energy: -655.937
where: short stacking energy: -271.373
Base-Backbone interact. energy: -0.716
local terms energy: -274.258732
where:
bonds (distance) C4'-P energy: -53.497
bonds (distance) P-C4' energy: -52.427
flat angles C4'-P-C4' energy: -54.918
flat angles P-C4'-P energy: -39.587
tors. eta vs tors. theta energy: -73.829
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: 445
Temperature: 1.000000
Total energy: -919.285319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.285319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.285319 (E_RNA)
where:
Base-Base interactions energy: -640.649
where: short stacking energy: -268.106
Base-Backbone interact. energy: 0.702
local terms energy: -279.337765
where:
bonds (distance) C4'-P energy: -49.533
bonds (distance) P-C4' energy: -51.197
flat angles C4'-P-C4' energy: -54.513
flat angles P-C4'-P energy: -45.779
tors. eta vs tors. theta energy: -78.316
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: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -809.943910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.943910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.943910 (E_RNA)
where:
Base-Base interactions energy: -546.491
where: short stacking energy: -229.992
Base-Backbone interact. energy: 2.584
local terms energy: -266.036359
where:
bonds (distance) C4'-P energy: -45.350
bonds (distance) P-C4' energy: -55.716
flat angles C4'-P-C4' energy: -57.751
flat angles P-C4'-P energy: -35.641
tors. eta vs tors. theta energy: -71.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -756.876974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.876974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.876974 (E_RNA)
where:
Base-Base interactions energy: -510.934
where: short stacking energy: -210.628
Base-Backbone interact. energy: 0.422
local terms energy: -246.364328
where:
bonds (distance) C4'-P energy: -45.072
bonds (distance) P-C4' energy: -54.372
flat angles C4'-P-C4' energy: -53.450
flat angles P-C4'-P energy: -35.997
tors. eta vs tors. theta energy: -57.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -735.135683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.135683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.135683 (E_RNA)
where:
Base-Base interactions energy: -497.790
where: short stacking energy: -201.632
Base-Backbone interact. energy: -1.886
local terms energy: -235.459547
where:
bonds (distance) C4'-P energy: -47.397
bonds (distance) P-C4' energy: -42.981
flat angles C4'-P-C4' energy: -54.435
flat angles P-C4'-P energy: -24.879
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: 7, replica: 4
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -594.478886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.478886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.478886 (E_RNA)
where:
Base-Base interactions energy: -412.615
where: short stacking energy: -192.403
Base-Backbone interact. energy: -1.266
local terms energy: -180.597224
where:
bonds (distance) C4'-P energy: -23.066
bonds (distance) P-C4' energy: -47.957
flat angles C4'-P-C4' energy: -37.570
flat angles P-C4'-P energy: -30.013
tors. eta vs tors. theta energy: -41.991
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: 7
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -490.199236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.199236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.199236 (E_RNA)
where:
Base-Base interactions energy: -281.730
where: short stacking energy: -128.583
Base-Backbone interact. energy: -0.778
local terms energy: -207.691368
where:
bonds (distance) C4'-P energy: -43.920
bonds (distance) P-C4' energy: -53.606
flat angles C4'-P-C4' energy: -49.387
flat angles P-C4'-P energy: -31.834
tors. eta vs tors. theta energy: -28.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -295.736376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.736376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.736376 (E_RNA)
where:
Base-Base interactions energy: -147.598
where: short stacking energy: -88.320
Base-Backbone interact. energy: -1.077
local terms energy: -147.061697
where:
bonds (distance) C4'-P energy: -26.998
bonds (distance) P-C4' energy: -53.978
flat angles C4'-P-C4' energy: -42.561
flat angles P-C4'-P energy: -23.028
tors. eta vs tors. theta energy: -0.497
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: 445
Temperature: 1.350000
Total energy: -266.527206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.527206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.527206 (E_RNA)
where:
Base-Base interactions energy: -114.495
where: short stacking energy: -79.515
Base-Backbone interact. energy: 0.360
local terms energy: -152.392716
where:
bonds (distance) C4'-P energy: -47.369
bonds (distance) P-C4' energy: -47.390
flat angles C4'-P-C4' energy: -44.021
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -2.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -954.406776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.406776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.406776 (E_RNA)
where:
Base-Base interactions energy: -674.090
where: short stacking energy: -268.716
Base-Backbone interact. energy: 2.407
local terms energy: -282.723871
where:
bonds (distance) C4'-P energy: -52.489
bonds (distance) P-C4' energy: -62.781
flat angles C4'-P-C4' energy: -56.488
flat angles P-C4'-P energy: -37.609
tors. eta vs tors. theta energy: -73.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -920.842367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.842367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.842367 (E_RNA)
where:
Base-Base interactions energy: -636.239
where: short stacking energy: -264.533
Base-Backbone interact. energy: -1.378
local terms energy: -283.225489
where:
bonds (distance) C4'-P energy: -49.928
bonds (distance) P-C4' energy: -57.287
flat angles C4'-P-C4' energy: -54.793
flat angles P-C4'-P energy: -39.041
tors. eta vs tors. theta energy: -82.176
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: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -905.476070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.476070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.476070 (E_RNA)
where:
Base-Base interactions energy: -639.287
where: short stacking energy: -266.423
Base-Backbone interact. energy: 4.539
local terms energy: -270.727544
where:
bonds (distance) C4'-P energy: -51.415
bonds (distance) P-C4' energy: -48.318
flat angles C4'-P-C4' energy: -48.672
flat angles P-C4'-P energy: -38.777
tors. eta vs tors. theta energy: -83.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -812.201137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.201137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.201137 (E_RNA)
where:
Base-Base interactions energy: -556.454
where: short stacking energy: -224.556
Base-Backbone interact. energy: -0.015
local terms energy: -255.732323
where:
bonds (distance) C4'-P energy: -42.556
bonds (distance) P-C4' energy: -49.017
flat angles C4'-P-C4' energy: -58.794
flat angles P-C4'-P energy: -42.419
tors. eta vs tors. theta energy: -62.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -773.882013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.882013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.882013 (E_RNA)
where:
Base-Base interactions energy: -510.897
where: short stacking energy: -249.149
Base-Backbone interact. energy: 0.158
local terms energy: -263.143590
where:
bonds (distance) C4'-P energy: -49.146
bonds (distance) P-C4' energy: -52.383
flat angles C4'-P-C4' energy: -55.470
flat angles P-C4'-P energy: -34.464
tors. eta vs tors. theta energy: -71.682
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: 6, replica: 10
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -751.705297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.705297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.705297 (E_RNA)
where:
Base-Base interactions energy: -506.591
where: short stacking energy: -220.719
Base-Backbone interact. energy: -1.256
local terms energy: -243.858604
where:
bonds (distance) C4'-P energy: -55.970
bonds (distance) P-C4' energy: -43.877
flat angles C4'-P-C4' energy: -49.115
flat angles P-C4'-P energy: -25.874
tors. eta vs tors. theta energy: -69.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -584.209146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.209146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.209146 (E_RNA)
where:
Base-Base interactions energy: -362.470
where: short stacking energy: -176.180
Base-Backbone interact. energy: -0.661
local terms energy: -221.077788
where:
bonds (distance) C4'-P energy: -48.430
bonds (distance) P-C4' energy: -47.720
flat angles C4'-P-C4' energy: -48.760
flat angles P-C4'-P energy: -33.037
tors. eta vs tors. theta energy: -43.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -474.557904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.557904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.557904 (E_RNA)
where:
Base-Base interactions energy: -286.488
where: short stacking energy: -146.173
Base-Backbone interact. energy: 0.171
local terms energy: -188.241473
where:
bonds (distance) C4'-P energy: -41.671
bonds (distance) P-C4' energy: -40.895
flat angles C4'-P-C4' energy: -48.887
flat angles P-C4'-P energy: -23.004
tors. eta vs tors. theta energy: -33.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -327.147172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.147172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.147172 (E_RNA)
where:
Base-Base interactions energy: -172.066
where: short stacking energy: -112.288
Base-Backbone interact. energy: -0.497
local terms energy: -154.583488
where:
bonds (distance) C4'-P energy: -36.169
bonds (distance) P-C4' energy: -37.405
flat angles C4'-P-C4' energy: -45.404
flat angles P-C4'-P energy: -20.729
tors. eta vs tors. theta energy: -14.877
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: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -259.878129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.878129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.878129 (E_RNA)
where:
Base-Base interactions energy: -116.732
where: short stacking energy: -73.769
Base-Backbone interact. energy: 1.582
local terms energy: -144.727570
where:
bonds (distance) C4'-P energy: -45.023
bonds (distance) P-C4' energy: -55.549
flat angles C4'-P-C4' energy: -37.104
flat angles P-C4'-P energy: -19.487
tors. eta vs tors. theta energy: 12.436
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: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -968.277813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.277813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.277813 (E_RNA)
where:
Base-Base interactions energy: -685.465
where: short stacking energy: -274.683
Base-Backbone interact. energy: -0.679
local terms energy: -282.133837
where:
bonds (distance) C4'-P energy: -53.888
bonds (distance) P-C4' energy: -45.425
flat angles C4'-P-C4' energy: -61.335
flat angles P-C4'-P energy: -41.751
tors. eta vs tors. theta energy: -79.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -904.736360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.736360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.736360 (E_RNA)
where:
Base-Base interactions energy: -633.661
where: short stacking energy: -258.079
Base-Backbone interact. energy: -1.670
local terms energy: -269.404604
where:
bonds (distance) C4'-P energy: -51.728
bonds (distance) P-C4' energy: -50.915
flat angles C4'-P-C4' energy: -56.672
flat angles P-C4'-P energy: -32.409
tors. eta vs tors. theta energy: -77.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -882.845012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.845012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.845012 (E_RNA)
where:
Base-Base interactions energy: -618.605
where: short stacking energy: -253.501
Base-Backbone interact. energy: -0.299
local terms energy: -263.941391
where:
bonds (distance) C4'-P energy: -40.860
bonds (distance) P-C4' energy: -50.983
flat angles C4'-P-C4' energy: -58.465
flat angles P-C4'-P energy: -42.409
tors. eta vs tors. theta energy: -71.224
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: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -812.792195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.792195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.792195 (E_RNA)
where:
Base-Base interactions energy: -542.569
where: short stacking energy: -227.336
Base-Backbone interact. energy: 1.464
local terms energy: -271.686712
where:
bonds (distance) C4'-P energy: -53.691
bonds (distance) P-C4' energy: -53.076
flat angles C4'-P-C4' energy: -59.635
flat angles P-C4'-P energy: -39.833
tors. eta vs tors. theta energy: -65.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -773.845376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.845376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.845376 (E_RNA)
where:
Base-Base interactions energy: -520.918
where: short stacking energy: -219.637
Base-Backbone interact. energy: 0.208
local terms energy: -253.135464
where:
bonds (distance) C4'-P energy: -47.388
bonds (distance) P-C4' energy: -43.676
flat angles C4'-P-C4' energy: -57.087
flat angles P-C4'-P energy: -37.048
tors. eta vs tors. theta energy: -67.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -763.110443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.110443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.110443 (E_RNA)
where:
Base-Base interactions energy: -527.120
where: short stacking energy: -239.811
Base-Backbone interact. energy: -0.374
local terms energy: -235.616762
where:
bonds (distance) C4'-P energy: -49.319
bonds (distance) P-C4' energy: -37.552
flat angles C4'-P-C4' energy: -49.894
flat angles P-C4'-P energy: -36.171
tors. eta vs tors. theta energy: -62.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -600.082147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.082147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.082147 (E_RNA)
where:
Base-Base interactions energy: -381.675
where: short stacking energy: -163.078
Base-Backbone interact. energy: 1.194
local terms energy: -219.601479
where:
bonds (distance) C4'-P energy: -48.607
bonds (distance) P-C4' energy: -47.728
flat angles C4'-P-C4' energy: -52.650
flat angles P-C4'-P energy: -29.015
tors. eta vs tors. theta energy: -41.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -492.515630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.515630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.515630 (E_RNA)
where:
Base-Base interactions energy: -288.054
where: short stacking energy: -137.238
Base-Backbone interact. energy: -1.071
local terms energy: -203.391207
where:
bonds (distance) C4'-P energy: -48.962
bonds (distance) P-C4' energy: -45.791
flat angles C4'-P-C4' energy: -42.910
flat angles P-C4'-P energy: -35.060
tors. eta vs tors. theta energy: -30.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -324.066888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.066888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.066888 (E_RNA)
where:
Base-Base interactions energy: -164.645
where: short stacking energy: -94.803
Base-Backbone interact. energy: -0.619
local terms energy: -158.802656
where:
bonds (distance) C4'-P energy: -45.670
bonds (distance) P-C4' energy: -35.765
flat angles C4'-P-C4' energy: -45.456
flat angles P-C4'-P energy: -24.083
tors. eta vs tors. theta energy: -7.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -226.976185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.976185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.976185 (E_RNA)
where:
Base-Base interactions energy: -91.875
where: short stacking energy: -61.391
Base-Backbone interact. energy: -0.754
local terms energy: -134.347163
where:
bonds (distance) C4'-P energy: -36.429
bonds (distance) P-C4' energy: -44.482
flat angles C4'-P-C4' energy: -34.682
flat angles P-C4'-P energy: -21.251
tors. eta vs tors. theta energy: 2.497
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: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -971.735483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.735483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.735483 (E_RNA)
where:
Base-Base interactions energy: -680.586
where: short stacking energy: -278.533
Base-Backbone interact. energy: -0.120
local terms energy: -291.029783
where:
bonds (distance) C4'-P energy: -55.341
bonds (distance) P-C4' energy: -54.302
flat angles C4'-P-C4' energy: -58.810
flat angles P-C4'-P energy: -37.705
tors. eta vs tors. theta energy: -84.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -905.813961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.813961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.813961 (E_RNA)
where:
Base-Base interactions energy: -630.010
where: short stacking energy: -259.158
Base-Backbone interact. energy: 0.984
local terms energy: -276.787564
where:
bonds (distance) C4'-P energy: -47.646
bonds (distance) P-C4' energy: -53.501
flat angles C4'-P-C4' energy: -52.153
flat angles P-C4'-P energy: -37.654
tors. eta vs tors. theta energy: -85.834
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: 3, replica: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -897.319491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.319491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.319491 (E_RNA)
where:
Base-Base interactions energy: -635.142
where: short stacking energy: -249.131
Base-Backbone interact. energy: -1.503
local terms energy: -260.674637
where:
bonds (distance) C4'-P energy: -47.924
bonds (distance) P-C4' energy: -46.895
flat angles C4'-P-C4' energy: -51.909
flat angles P-C4'-P energy: -43.303
tors. eta vs tors. theta energy: -70.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -810.114436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.114436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.114436 (E_RNA)
where:
Base-Base interactions energy: -542.902
where: short stacking energy: -234.630
Base-Backbone interact. energy: -1.497
local terms energy: -265.715618
where:
bonds (distance) C4'-P energy: -51.769
bonds (distance) P-C4' energy: -55.299
flat angles C4'-P-C4' energy: -58.728
flat angles P-C4'-P energy: -34.726
tors. eta vs tors. theta energy: -65.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -761.734305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.734305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.734305 (E_RNA)
where:
Base-Base interactions energy: -507.500
where: short stacking energy: -226.591
Base-Backbone interact. energy: -1.731
local terms energy: -252.503657
where:
bonds (distance) C4'-P energy: -54.716
bonds (distance) P-C4' energy: -48.897
flat angles C4'-P-C4' energy: -49.037
flat angles P-C4'-P energy: -36.808
tors. eta vs tors. theta energy: -63.044
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: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -761.081062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.081062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.081062 (E_RNA)
where:
Base-Base interactions energy: -513.554
where: short stacking energy: -210.088
Base-Backbone interact. energy: -0.280
local terms energy: -247.247009
where:
bonds (distance) C4'-P energy: -55.038
bonds (distance) P-C4' energy: -48.802
flat angles C4'-P-C4' energy: -51.323
flat angles P-C4'-P energy: -34.515
tors. eta vs tors. theta energy: -57.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -595.541499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.541499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.541499 (E_RNA)
where:
Base-Base interactions energy: -386.343
where: short stacking energy: -169.856
Base-Backbone interact. energy: -1.070
local terms energy: -208.128579
where:
bonds (distance) C4'-P energy: -39.384
bonds (distance) P-C4' energy: -57.336
flat angles C4'-P-C4' energy: -51.466
flat angles P-C4'-P energy: -26.626
tors. eta vs tors. theta energy: -33.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -484.817598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.817598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.817598 (E_RNA)
where:
Base-Base interactions energy: -311.715
where: short stacking energy: -138.406
Base-Backbone interact. energy: 1.315
local terms energy: -174.418451
where:
bonds (distance) C4'-P energy: -41.379
bonds (distance) P-C4' energy: -44.686
flat angles C4'-P-C4' energy: -39.837
flat angles P-C4'-P energy: -22.826
tors. eta vs tors. theta energy: -25.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -317.348982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.348982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.348982 (E_RNA)
where:
Base-Base interactions energy: -142.115
where: short stacking energy: -80.399
Base-Backbone interact. energy: -1.135
local terms energy: -174.098883
where:
bonds (distance) C4'-P energy: -42.634
bonds (distance) P-C4' energy: -50.490
flat angles C4'-P-C4' energy: -48.012
flat angles P-C4'-P energy: -31.923
tors. eta vs tors. theta energy: -1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -219.012182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.012182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.012182 (E_RNA)
where:
Base-Base interactions energy: -75.766
where: short stacking energy: -64.310
Base-Backbone interact. energy: -1.145
local terms energy: -142.101801
where:
bonds (distance) C4'-P energy: -45.051
bonds (distance) P-C4' energy: -51.573
flat angles C4'-P-C4' energy: -35.467
flat angles P-C4'-P energy: -21.361
tors. eta vs tors. theta energy: 11.351
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: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -979.736210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.736210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.736210 (E_RNA)
where:
Base-Base interactions energy: -682.792
where: short stacking energy: -280.017
Base-Backbone interact. energy: -2.026
local terms energy: -294.918661
where:
bonds (distance) C4'-P energy: -51.527
bonds (distance) P-C4' energy: -50.273
flat angles C4'-P-C4' energy: -63.309
flat angles P-C4'-P energy: -41.270
tors. eta vs tors. theta energy: -88.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -910.120527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.120527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.120527 (E_RNA)
where:
Base-Base interactions energy: -638.493
where: short stacking energy: -256.345
Base-Backbone interact. energy: -2.819
local terms energy: -268.808634
where:
bonds (distance) C4'-P energy: -51.585
bonds (distance) P-C4' energy: -50.764
flat angles C4'-P-C4' energy: -58.209
flat angles P-C4'-P energy: -36.927
tors. eta vs tors. theta energy: -71.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -857.034602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.034602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.034602 (E_RNA)
where:
Base-Base interactions energy: -603.137
where: short stacking energy: -228.676
Base-Backbone interact. energy: 1.734
local terms energy: -255.631232
where:
bonds (distance) C4'-P energy: -49.354
bonds (distance) P-C4' energy: -55.493
flat angles C4'-P-C4' energy: -50.404
flat angles P-C4'-P energy: -27.281
tors. eta vs tors. theta energy: -73.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -772.534767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.534767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.534767 (E_RNA)
where:
Base-Base interactions energy: -529.327
where: short stacking energy: -228.232
Base-Backbone interact. energy: 1.656
local terms energy: -244.863984
where:
bonds (distance) C4'-P energy: -52.805
bonds (distance) P-C4' energy: -43.042
flat angles C4'-P-C4' energy: -51.251
flat angles P-C4'-P energy: -27.336
tors. eta vs tors. theta energy: -70.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -802.023522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.023522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.023522 (E_RNA)
where:
Base-Base interactions energy: -546.728
where: short stacking energy: -228.393
Base-Backbone interact. energy: -2.999
local terms energy: -252.295846
where:
bonds (distance) C4'-P energy: -45.550
bonds (distance) P-C4' energy: -54.021
flat angles C4'-P-C4' energy: -53.307
flat angles P-C4'-P energy: -35.739
tors. eta vs tors. theta energy: -63.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -769.911780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.911780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.911780 (E_RNA)
where:
Base-Base interactions energy: -517.731
where: short stacking energy: -208.260
Base-Backbone interact. energy: -0.603
local terms energy: -251.578119
where:
bonds (distance) C4'-P energy: -51.484
bonds (distance) P-C4' energy: -44.452
flat angles C4'-P-C4' energy: -63.622
flat angles P-C4'-P energy: -37.053
tors. eta vs tors. theta energy: -54.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -580.709149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.709149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.709149 (E_RNA)
where:
Base-Base interactions energy: -368.622
where: short stacking energy: -175.400
Base-Backbone interact. energy: 1.217
local terms energy: -213.304266
where:
bonds (distance) C4'-P energy: -51.571
bonds (distance) P-C4' energy: -46.768
flat angles C4'-P-C4' energy: -51.293
flat angles P-C4'-P energy: -21.259
tors. eta vs tors. theta energy: -42.413
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: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -466.135306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.135306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.135306 (E_RNA)
where:
Base-Base interactions energy: -272.482
where: short stacking energy: -136.687
Base-Backbone interact. energy: -1.963
local terms energy: -191.690238
where:
bonds (distance) C4'-P energy: -44.283
bonds (distance) P-C4' energy: -43.061
flat angles C4'-P-C4' energy: -46.677
flat angles P-C4'-P energy: -34.155
tors. eta vs tors. theta energy: -23.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -308.161811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.161811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.161811 (E_RNA)
where:
Base-Base interactions energy: -132.031
where: short stacking energy: -84.467
Base-Backbone interact. energy: -1.402
local terms energy: -174.728793
where:
bonds (distance) C4'-P energy: -47.457
bonds (distance) P-C4' energy: -59.765
flat angles C4'-P-C4' energy: -33.012
flat angles P-C4'-P energy: -26.043
tors. eta vs tors. theta energy: -8.450
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: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -239.865216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.865216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.865216 (E_RNA)
where:
Base-Base interactions energy: -80.438
where: short stacking energy: -80.438
Base-Backbone interact. energy: -0.815
local terms energy: -158.612245
where:
bonds (distance) C4'-P energy: -43.434
bonds (distance) P-C4' energy: -43.594
flat angles C4'-P-C4' energy: -41.960
flat angles P-C4'-P energy: -23.869
tors. eta vs tors. theta energy: -5.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -974.774381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.774381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.774381 (E_RNA)
where:
Base-Base interactions energy: -681.868
where: short stacking energy: -278.310
Base-Backbone interact. energy: -2.085
local terms energy: -290.820829
where:
bonds (distance) C4'-P energy: -51.147
bonds (distance) P-C4' energy: -62.549
flat angles C4'-P-C4' energy: -59.370
flat angles P-C4'-P energy: -42.483
tors. eta vs tors. theta energy: -75.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -894.508049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.508049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.508049 (E_RNA)
where:
Base-Base interactions energy: -630.301
where: short stacking energy: -271.173
Base-Backbone interact. energy: -2.041
local terms energy: -262.165633
where:
bonds (distance) C4'-P energy: -47.122
bonds (distance) P-C4' energy: -48.096
flat angles C4'-P-C4' energy: -49.259
flat angles P-C4'-P energy: -38.162
tors. eta vs tors. theta energy: -79.526
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: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -861.708559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.708559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.708559 (E_RNA)
where:
Base-Base interactions energy: -600.605
where: short stacking energy: -250.770
Base-Backbone interact. energy: -0.741
local terms energy: -260.362342
where:
bonds (distance) C4'-P energy: -43.366
bonds (distance) P-C4' energy: -52.139
flat angles C4'-P-C4' energy: -51.800
flat angles P-C4'-P energy: -39.259
tors. eta vs tors. theta energy: -73.799
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: 6
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -799.443233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.443233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.443233 (E_RNA)
where:
Base-Base interactions energy: -544.137
where: short stacking energy: -250.693
Base-Backbone interact. energy: 0.447
local terms energy: -255.753313
where:
bonds (distance) C4'-P energy: -54.424
bonds (distance) P-C4' energy: -54.705
flat angles C4'-P-C4' energy: -41.095
flat angles P-C4'-P energy: -27.369
tors. eta vs tors. theta energy: -78.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -792.224951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.224951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.224951 (E_RNA)
where:
Base-Base interactions energy: -553.687
where: short stacking energy: -226.871
Base-Backbone interact. energy: 0.407
local terms energy: -238.944734
where:
bonds (distance) C4'-P energy: -46.328
bonds (distance) P-C4' energy: -40.662
flat angles C4'-P-C4' energy: -55.958
flat angles P-C4'-P energy: -30.020
tors. eta vs tors. theta energy: -65.977
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: 6, replica: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -739.778136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.778136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.778136 (E_RNA)
where:
Base-Base interactions energy: -502.374
where: short stacking energy: -219.377
Base-Backbone interact. energy: -0.227
local terms energy: -237.177258
where:
bonds (distance) C4'-P energy: -43.575
bonds (distance) P-C4' energy: -51.603
flat angles C4'-P-C4' energy: -48.488
flat angles P-C4'-P energy: -34.362
tors. eta vs tors. theta energy: -59.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -491.553586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.553586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.553586 (E_RNA)
where:
Base-Base interactions energy: -286.914
where: short stacking energy: -146.087
Base-Backbone interact. energy: -1.908
local terms energy: -202.731885
where:
bonds (distance) C4'-P energy: -51.501
bonds (distance) P-C4' energy: -43.439
flat angles C4'-P-C4' energy: -48.954
flat angles P-C4'-P energy: -18.282
tors. eta vs tors. theta energy: -40.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -536.197398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.197398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.197398 (E_RNA)
where:
Base-Base interactions energy: -329.880
where: short stacking energy: -163.155
Base-Backbone interact. energy: 4.236
local terms energy: -210.553636
where:
bonds (distance) C4'-P energy: -46.993
bonds (distance) P-C4' energy: -49.354
flat angles C4'-P-C4' energy: -46.734
flat angles P-C4'-P energy: -32.050
tors. eta vs tors. theta energy: -35.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -283.174700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.174700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.174700 (E_RNA)
where:
Base-Base interactions energy: -125.634
where: short stacking energy: -83.924
Base-Backbone interact. energy: -0.958
local terms energy: -156.582636
where:
bonds (distance) C4'-P energy: -39.499
bonds (distance) P-C4' energy: -46.219
flat angles C4'-P-C4' energy: -47.217
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -4.233
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: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -224.686899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.686899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.686899 (E_RNA)
where:
Base-Base interactions energy: -69.651
where: short stacking energy: -56.004
Base-Backbone interact. energy: -0.232
local terms energy: -154.803709
where:
bonds (distance) C4'-P energy: -49.502
bonds (distance) P-C4' energy: -53.780
flat angles C4'-P-C4' energy: -32.845
flat angles P-C4'-P energy: -30.194
tors. eta vs tors. theta energy: 11.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -960.008595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.008595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.008595 (E_RNA)
where:
Base-Base interactions energy: -675.057
where: short stacking energy: -286.821
Base-Backbone interact. energy: -0.227
local terms energy: -284.724513
where:
bonds (distance) C4'-P energy: -48.731
bonds (distance) P-C4' energy: -53.073
flat angles C4'-P-C4' energy: -57.764
flat angles P-C4'-P energy: -40.537
tors. eta vs tors. theta energy: -84.620
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: 2, replica: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -931.503032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.503032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.503032 (E_RNA)
where:
Base-Base interactions energy: -643.158
where: short stacking energy: -259.497
Base-Backbone interact. energy: -2.070
local terms energy: -286.274999
where:
bonds (distance) C4'-P energy: -44.065
bonds (distance) P-C4' energy: -51.541
flat angles C4'-P-C4' energy: -58.725
flat angles P-C4'-P energy: -47.412
tors. eta vs tors. theta energy: -84.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -860.252726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.252726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.252726 (E_RNA)
where:
Base-Base interactions energy: -590.626
where: short stacking energy: -242.105
Base-Backbone interact. energy: -0.573
local terms energy: -269.053939
where:
bonds (distance) C4'-P energy: -50.088
bonds (distance) P-C4' energy: -52.173
flat angles C4'-P-C4' energy: -56.360
flat angles P-C4'-P energy: -37.578
tors. eta vs tors. theta energy: -72.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -804.171204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.171204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.171204 (E_RNA)
where:
Base-Base interactions energy: -547.051
where: short stacking energy: -218.803
Base-Backbone interact. energy: -2.088
local terms energy: -255.031883
where:
bonds (distance) C4'-P energy: -53.460
bonds (distance) P-C4' energy: -54.044
flat angles C4'-P-C4' energy: -52.892
flat angles P-C4'-P energy: -38.539
tors. eta vs tors. theta energy: -56.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -806.652032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.652032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.652032 (E_RNA)
where:
Base-Base interactions energy: -538.193
where: short stacking energy: -252.568
Base-Backbone interact. energy: -1.172
local terms energy: -267.286701
where:
bonds (distance) C4'-P energy: -50.474
bonds (distance) P-C4' energy: -54.125
flat angles C4'-P-C4' energy: -55.498
flat angles P-C4'-P energy: -30.661
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: 6, replica: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -775.886827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.886827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.886827 (E_RNA)
where:
Base-Base interactions energy: -539.254
where: short stacking energy: -226.406
Base-Backbone interact. energy: -1.094
local terms energy: -235.539249
where:
bonds (distance) C4'-P energy: -33.856
bonds (distance) P-C4' energy: -55.738
flat angles C4'-P-C4' energy: -45.482
flat angles P-C4'-P energy: -35.692
tors. eta vs tors. theta energy: -64.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -505.110001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.110001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.110001 (E_RNA)
where:
Base-Base interactions energy: -311.210
where: short stacking energy: -138.112
Base-Backbone interact. energy: 1.093
local terms energy: -194.992137
where:
bonds (distance) C4'-P energy: -35.786
bonds (distance) P-C4' energy: -50.340
flat angles C4'-P-C4' energy: -42.703
flat angles P-C4'-P energy: -30.160
tors. eta vs tors. theta energy: -36.002
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: 8, replica: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -339.682838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.682838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.682838 (E_RNA)
where:
Base-Base interactions energy: -181.408
where: short stacking energy: -108.411
Base-Backbone interact. energy: 2.339
local terms energy: -160.613880
where:
bonds (distance) C4'-P energy: -44.382
bonds (distance) P-C4' energy: -41.260
flat angles C4'-P-C4' energy: -43.385
flat angles P-C4'-P energy: -31.172
tors. eta vs tors. theta energy: -0.414
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: 4
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -467.616122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.616122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.616122 (E_RNA)
where:
Base-Base interactions energy: -288.785
where: short stacking energy: -138.904
Base-Backbone interact. energy: -3.112
local terms energy: -175.718287
where:
bonds (distance) C4'-P energy: -32.105
bonds (distance) P-C4' energy: -32.885
flat angles C4'-P-C4' energy: -51.981
flat angles P-C4'-P energy: -31.770
tors. eta vs tors. theta energy: -26.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -243.198046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.198046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.198046 (E_RNA)
where:
Base-Base interactions energy: -86.094
where: short stacking energy: -79.995
Base-Backbone interact. energy: 1.265
local terms energy: -158.368651
where:
bonds (distance) C4'-P energy: -50.392
bonds (distance) P-C4' energy: -37.974
flat angles C4'-P-C4' energy: -46.257
flat angles P-C4'-P energy: -29.117
tors. eta vs tors. theta energy: 5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -952.241395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.241395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.241395 (E_RNA)
where:
Base-Base interactions energy: -665.187
where: short stacking energy: -274.514
Base-Backbone interact. energy: 0.147
local terms energy: -287.201437
where:
bonds (distance) C4'-P energy: -52.643
bonds (distance) P-C4' energy: -58.455
flat angles C4'-P-C4' energy: -58.035
flat angles P-C4'-P energy: -35.064
tors. eta vs tors. theta energy: -83.004
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: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -940.602515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.602515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.602515 (E_RNA)
where:
Base-Base interactions energy: -658.508
where: short stacking energy: -265.587
Base-Backbone interact. energy: -2.130
local terms energy: -279.964300
where:
bonds (distance) C4'-P energy: -53.647
bonds (distance) P-C4' energy: -46.933
flat angles C4'-P-C4' energy: -57.660
flat angles P-C4'-P energy: -44.631
tors. eta vs tors. theta energy: -77.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -875.323506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.323506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.323506 (E_RNA)
where:
Base-Base interactions energy: -590.387
where: short stacking energy: -238.373
Base-Backbone interact. energy: -1.052
local terms energy: -283.884711
where:
bonds (distance) C4'-P energy: -57.320
bonds (distance) P-C4' energy: -55.341
flat angles C4'-P-C4' energy: -52.516
flat angles P-C4'-P energy: -43.042
tors. eta vs tors. theta energy: -75.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -851.967271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.967271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.967271 (E_RNA)
where:
Base-Base interactions energy: -578.115
where: short stacking energy: -228.906
Base-Backbone interact. energy: -0.677
local terms energy: -273.175537
where:
bonds (distance) C4'-P energy: -54.909
bonds (distance) P-C4' energy: -50.039
flat angles C4'-P-C4' energy: -62.514
flat angles P-C4'-P energy: -39.380
tors. eta vs tors. theta energy: -66.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -774.563218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.563218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.563218 (E_RNA)
where:
Base-Base interactions energy: -523.659
where: short stacking energy: -212.919
Base-Backbone interact. energy: -1.116
local terms energy: -249.788540
where:
bonds (distance) C4'-P energy: -48.478
bonds (distance) P-C4' energy: -50.983
flat angles C4'-P-C4' energy: -53.813
flat angles P-C4'-P energy: -40.096
tors. eta vs tors. theta energy: -56.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -772.802602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.802602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.802602 (E_RNA)
where:
Base-Base interactions energy: -510.439
where: short stacking energy: -229.316
Base-Backbone interact. energy: -1.254
local terms energy: -261.109816
where:
bonds (distance) C4'-P energy: -42.749
bonds (distance) P-C4' energy: -54.430
flat angles C4'-P-C4' energy: -52.046
flat angles P-C4'-P energy: -40.192
tors. eta vs tors. theta energy: -71.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -528.748986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.748986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.748986 (E_RNA)
where:
Base-Base interactions energy: -311.925
where: short stacking energy: -161.689
Base-Backbone interact. energy: -0.867
local terms energy: -215.957221
where:
bonds (distance) C4'-P energy: -46.014
bonds (distance) P-C4' energy: -45.721
flat angles C4'-P-C4' energy: -49.438
flat angles P-C4'-P energy: -29.488
tors. eta vs tors. theta energy: -45.296
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: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -366.378852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.378852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.378852 (E_RNA)
where:
Base-Base interactions energy: -182.121
where: short stacking energy: -113.708
Base-Backbone interact. energy: -1.121
local terms energy: -183.136960
where:
bonds (distance) C4'-P energy: -49.031
bonds (distance) P-C4' energy: -49.150
flat angles C4'-P-C4' energy: -34.373
flat angles P-C4'-P energy: -33.521
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -429.236249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.236249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.236249 (E_RNA)
where:
Base-Base interactions energy: -247.191
where: short stacking energy: -115.985
Base-Backbone interact. energy: 0.678
local terms energy: -182.723428
where:
bonds (distance) C4'-P energy: -40.558
bonds (distance) P-C4' energy: -43.291
flat angles C4'-P-C4' energy: -45.719
flat angles P-C4'-P energy: -35.855
tors. eta vs tors. theta energy: -17.300
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: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -227.299649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.299649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.299649 (E_RNA)
where:
Base-Base interactions energy: -91.416
where: short stacking energy: -73.386
Base-Backbone interact. energy: -0.792
local terms energy: -135.091684
where:
bonds (distance) C4'-P energy: -50.260
bonds (distance) P-C4' energy: -47.734
flat angles C4'-P-C4' energy: -36.837
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: 15.026
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: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -973.092888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.092888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.092888 (E_RNA)
where:
Base-Base interactions energy: -693.763
where: short stacking energy: -276.960
Base-Backbone interact. energy: 0.556
local terms energy: -279.885787
where:
bonds (distance) C4'-P energy: -41.529
bonds (distance) P-C4' energy: -56.407
flat angles C4'-P-C4' energy: -60.652
flat angles P-C4'-P energy: -37.129
tors. eta vs tors. theta energy: -84.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -911.997245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.997245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.997245 (E_RNA)
where:
Base-Base interactions energy: -629.322
where: short stacking energy: -263.427
Base-Backbone interact. energy: -0.329
local terms energy: -282.346487
where:
bonds (distance) C4'-P energy: -52.523
bonds (distance) P-C4' energy: -59.871
flat angles C4'-P-C4' energy: -52.897
flat angles P-C4'-P energy: -37.511
tors. eta vs tors. theta energy: -79.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -880.487334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.487334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.487334 (E_RNA)
where:
Base-Base interactions energy: -604.035
where: short stacking energy: -255.312
Base-Backbone interact. energy: 0.317
local terms energy: -276.768881
where:
bonds (distance) C4'-P energy: -49.422
bonds (distance) P-C4' energy: -45.836
flat angles C4'-P-C4' energy: -63.330
flat angles P-C4'-P energy: -42.441
tors. eta vs tors. theta energy: -75.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -826.901187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.901187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.901187 (E_RNA)
where:
Base-Base interactions energy: -568.067
where: short stacking energy: -228.528
Base-Backbone interact. energy: 0.337
local terms energy: -259.171236
where:
bonds (distance) C4'-P energy: -48.494
bonds (distance) P-C4' energy: -47.617
flat angles C4'-P-C4' energy: -50.162
flat angles P-C4'-P energy: -42.509
tors. eta vs tors. theta energy: -70.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -772.366013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.366013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.366013 (E_RNA)
where:
Base-Base interactions energy: -520.596
where: short stacking energy: -238.938
Base-Backbone interact. energy: -0.990
local terms energy: -250.780131
where:
bonds (distance) C4'-P energy: -47.856
bonds (distance) P-C4' energy: -41.765
flat angles C4'-P-C4' energy: -59.040
flat angles P-C4'-P energy: -36.478
tors. eta vs tors. theta energy: -65.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -757.104239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.104239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.104239 (E_RNA)
where:
Base-Base interactions energy: -524.188
where: short stacking energy: -227.530
Base-Backbone interact. energy: -1.710
local terms energy: -231.207012
where:
bonds (distance) C4'-P energy: -46.089
bonds (distance) P-C4' energy: -38.269
flat angles C4'-P-C4' energy: -44.847
flat angles P-C4'-P energy: -35.613
tors. eta vs tors. theta energy: -66.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -560.312946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.312946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.312946 (E_RNA)
where:
Base-Base interactions energy: -352.973
where: short stacking energy: -155.584
Base-Backbone interact. energy: -0.524
local terms energy: -206.816206
where:
bonds (distance) C4'-P energy: -43.576
bonds (distance) P-C4' energy: -40.949
flat angles C4'-P-C4' energy: -55.947
flat angles P-C4'-P energy: -34.423
tors. eta vs tors. theta energy: -31.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -422.580787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.580787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.580787 (E_RNA)
where:
Base-Base interactions energy: -235.589
where: short stacking energy: -113.521
Base-Backbone interact. energy: -0.680
local terms energy: -186.311931
where:
bonds (distance) C4'-P energy: -45.501
bonds (distance) P-C4' energy: -50.594
flat angles C4'-P-C4' energy: -38.848
flat angles P-C4'-P energy: -30.332
tors. eta vs tors. theta energy: -21.037
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: 453
Temperature: 1.300000
Total energy: -325.889459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.889459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.889459 (E_RNA)
where:
Base-Base interactions energy: -143.489
where: short stacking energy: -82.486
Base-Backbone interact. energy: -1.016
local terms energy: -181.384906
where:
bonds (distance) C4'-P energy: -61.173
bonds (distance) P-C4' energy: -47.381
flat angles C4'-P-C4' energy: -37.262
flat angles P-C4'-P energy: -28.496
tors. eta vs tors. theta energy: -7.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -227.089855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.089855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.089855 (E_RNA)
where:
Base-Base interactions energy: -75.345
where: short stacking energy: -66.528
Base-Backbone interact. energy: -0.697
local terms energy: -151.048163
where:
bonds (distance) C4'-P energy: -52.734
bonds (distance) P-C4' energy: -40.266
flat angles C4'-P-C4' energy: -36.582
flat angles P-C4'-P energy: -26.788
tors. eta vs tors. theta energy: 5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -969.612476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.612476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.612476 (E_RNA)
where:
Base-Base interactions energy: -683.118
where: short stacking energy: -278.837
Base-Backbone interact. energy: 1.569
local terms energy: -288.063711
where:
bonds (distance) C4'-P energy: -57.124
bonds (distance) P-C4' energy: -53.521
flat angles C4'-P-C4' energy: -56.999
flat angles P-C4'-P energy: -37.564
tors. eta vs tors. theta energy: -82.857
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: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -895.444636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.444636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.444636 (E_RNA)
where:
Base-Base interactions energy: -619.881
where: short stacking energy: -258.565
Base-Backbone interact. energy: -3.584
local terms energy: -271.979599
where:
bonds (distance) C4'-P energy: -38.076
bonds (distance) P-C4' energy: -52.519
flat angles C4'-P-C4' energy: -63.529
flat angles P-C4'-P energy: -42.718
tors. eta vs tors. theta energy: -75.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -906.643660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.643660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.643660 (E_RNA)
where:
Base-Base interactions energy: -621.583
where: short stacking energy: -260.176
Base-Backbone interact. energy: -0.342
local terms energy: -284.719018
where:
bonds (distance) C4'-P energy: -42.503
bonds (distance) P-C4' energy: -56.851
flat angles C4'-P-C4' energy: -58.436
flat angles P-C4'-P energy: -46.274
tors. eta vs tors. theta energy: -80.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -844.850690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.850690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.850690 (E_RNA)
where:
Base-Base interactions energy: -571.272
where: short stacking energy: -232.712
Base-Backbone interact. energy: -1.280
local terms energy: -272.298527
where:
bonds (distance) C4'-P energy: -47.122
bonds (distance) P-C4' energy: -51.217
flat angles C4'-P-C4' energy: -61.344
flat angles P-C4'-P energy: -38.794
tors. eta vs tors. theta energy: -73.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -781.324140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.324140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.324140 (E_RNA)
where:
Base-Base interactions energy: -534.522
where: short stacking energy: -226.489
Base-Backbone interact. energy: -1.780
local terms energy: -245.022116
where:
bonds (distance) C4'-P energy: -48.790
bonds (distance) P-C4' energy: -43.072
flat angles C4'-P-C4' energy: -51.511
flat angles P-C4'-P energy: -36.738
tors. eta vs tors. theta energy: -64.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -783.390418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.390418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.390418 (E_RNA)
where:
Base-Base interactions energy: -543.358
where: short stacking energy: -230.022
Base-Backbone interact. energy: -0.961
local terms energy: -239.071100
where:
bonds (distance) C4'-P energy: -36.753
bonds (distance) P-C4' energy: -49.433
flat angles C4'-P-C4' energy: -55.690
flat angles P-C4'-P energy: -32.639
tors. eta vs tors. theta energy: -64.556
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: 7, replica: 7
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -593.288359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.288359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.288359 (E_RNA)
where:
Base-Base interactions energy: -388.407
where: short stacking energy: -183.953
Base-Backbone interact. energy: -2.728
local terms energy: -202.153482
where:
bonds (distance) C4'-P energy: -32.273
bonds (distance) P-C4' energy: -50.691
flat angles C4'-P-C4' energy: -50.412
flat angles P-C4'-P energy: -20.892
tors. eta vs tors. theta energy: -47.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -456.451350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.451350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.451350 (E_RNA)
where:
Base-Base interactions energy: -268.587
where: short stacking energy: -150.158
Base-Backbone interact. energy: -1.452
local terms energy: -186.413171
where:
bonds (distance) C4'-P energy: -32.885
bonds (distance) P-C4' energy: -50.136
flat angles C4'-P-C4' energy: -41.886
flat angles P-C4'-P energy: -30.461
tors. eta vs tors. theta energy: -31.044
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: 9, replica: 9
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -304.219605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.219605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.219605 (E_RNA)
where:
Base-Base interactions energy: -152.627
where: short stacking energy: -80.384
Base-Backbone interact. energy: -1.301
local terms energy: -150.291592
where:
bonds (distance) C4'-P energy: -49.248
bonds (distance) P-C4' energy: -53.556
flat angles C4'-P-C4' energy: -42.280
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: 10.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -250.773792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.773792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.773792 (E_RNA)
where:
Base-Base interactions energy: -117.549
where: short stacking energy: -71.527
Base-Backbone interact. energy: -1.267
local terms energy: -131.958626
where:
bonds (distance) C4'-P energy: -32.185
bonds (distance) P-C4' energy: -38.219
flat angles C4'-P-C4' energy: -37.561
flat angles P-C4'-P energy: -28.570
tors. eta vs tors. theta energy: 4.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -956.156000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.156000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.156000 (E_RNA)
where:
Base-Base interactions energy: -666.043
where: short stacking energy: -270.570
Base-Backbone interact. energy: -2.991
local terms energy: -287.122804
where:
bonds (distance) C4'-P energy: -53.746
bonds (distance) P-C4' energy: -55.961
flat angles C4'-P-C4' energy: -60.497
flat angles P-C4'-P energy: -36.992
tors. eta vs tors. theta energy: -79.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -898.290504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.290504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.290504 (E_RNA)
where:
Base-Base interactions energy: -627.134
where: short stacking energy: -261.032
Base-Backbone interact. energy: -0.314
local terms energy: -270.842500
where:
bonds (distance) C4'-P energy: -48.876
bonds (distance) P-C4' energy: -44.561
flat angles C4'-P-C4' energy: -56.077
flat angles P-C4'-P energy: -43.578
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: 3, replica: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -883.956031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.956031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.956031 (E_RNA)
where:
Base-Base interactions energy: -618.834
where: short stacking energy: -245.682
Base-Backbone interact. energy: -1.112
local terms energy: -264.010434
where:
bonds (distance) C4'-P energy: -57.035
bonds (distance) P-C4' energy: -48.909
flat angles C4'-P-C4' energy: -57.070
flat angles P-C4'-P energy: -25.701
tors. eta vs tors. theta energy: -75.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -859.825848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.825848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.825848 (E_RNA)
where:
Base-Base interactions energy: -589.881
where: short stacking energy: -246.601
Base-Backbone interact. energy: -0.902
local terms energy: -269.042754
where:
bonds (distance) C4'-P energy: -49.833
bonds (distance) P-C4' energy: -58.092
flat angles C4'-P-C4' energy: -51.278
flat angles P-C4'-P energy: -36.043
tors. eta vs tors. theta energy: -73.796
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: 5, replica: 10
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -770.915812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.915812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.915812 (E_RNA)
where:
Base-Base interactions energy: -507.057
where: short stacking energy: -218.514
Base-Backbone interact. energy: -0.362
local terms energy: -263.496637
where:
bonds (distance) C4'-P energy: -47.713
bonds (distance) P-C4' energy: -53.409
flat angles C4'-P-C4' energy: -62.749
flat angles P-C4'-P energy: -46.891
tors. eta vs tors. theta energy: -52.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -746.377116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.377116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.377116 (E_RNA)
where:
Base-Base interactions energy: -503.041
where: short stacking energy: -223.640
Base-Backbone interact. energy: -0.488
local terms energy: -242.847651
where:
bonds (distance) C4'-P energy: -45.247
bonds (distance) P-C4' energy: -47.445
flat angles C4'-P-C4' energy: -56.230
flat angles P-C4'-P energy: -31.388
tors. eta vs tors. theta energy: -62.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -607.503348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.503348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.503348 (E_RNA)
where:
Base-Base interactions energy: -389.754
where: short stacking energy: -179.603
Base-Backbone interact. energy: 1.009
local terms energy: -218.758655
where:
bonds (distance) C4'-P energy: -45.278
bonds (distance) P-C4' energy: -44.989
flat angles C4'-P-C4' energy: -53.400
flat angles P-C4'-P energy: -33.928
tors. eta vs tors. theta energy: -41.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -447.738956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.738956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.738956 (E_RNA)
where:
Base-Base interactions energy: -261.116
where: short stacking energy: -122.329
Base-Backbone interact. energy: 0.050
local terms energy: -186.673521
where:
bonds (distance) C4'-P energy: -46.389
bonds (distance) P-C4' energy: -44.929
flat angles C4'-P-C4' energy: -47.993
flat angles P-C4'-P energy: -29.347
tors. eta vs tors. theta energy: -18.015
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: 9
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -314.146913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.146913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.146913 (E_RNA)
where:
Base-Base interactions energy: -159.160
where: short stacking energy: -95.890
Base-Backbone interact. energy: -0.371
local terms energy: -154.615535
where:
bonds (distance) C4'-P energy: -40.726
bonds (distance) P-C4' energy: -52.690
flat angles C4'-P-C4' energy: -34.439
flat angles P-C4'-P energy: -18.368
tors. eta vs tors. theta energy: -8.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -234.576308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.576308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.576308 (E_RNA)
where:
Base-Base interactions energy: -88.209
where: short stacking energy: -58.793
Base-Backbone interact. energy: 1.203
local terms energy: -147.570392
where:
bonds (distance) C4'-P energy: -51.148
bonds (distance) P-C4' energy: -44.574
flat angles C4'-P-C4' energy: -36.454
flat angles P-C4'-P energy: -27.327
tors. eta vs tors. theta energy: 11.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -951.906748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.906748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.906748 (E_RNA)
where:
Base-Base interactions energy: -673.830
where: short stacking energy: -283.960
Base-Backbone interact. energy: 0.010
local terms energy: -278.087008
where:
bonds (distance) C4'-P energy: -46.898
bonds (distance) P-C4' energy: -57.626
flat angles C4'-P-C4' energy: -61.932
flat angles P-C4'-P energy: -31.136
tors. eta vs tors. theta energy: -80.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -913.164926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.164926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.164926 (E_RNA)
where:
Base-Base interactions energy: -640.149
where: short stacking energy: -270.084
Base-Backbone interact. energy: 2.440
local terms energy: -275.455962
where:
bonds (distance) C4'-P energy: -56.054
bonds (distance) P-C4' energy: -48.675
flat angles C4'-P-C4' energy: -54.079
flat angles P-C4'-P energy: -34.963
tors. eta vs tors. theta energy: -81.685
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: 2
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -874.841209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.841209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.841209 (E_RNA)
where:
Base-Base interactions energy: -602.626
where: short stacking energy: -235.589
Base-Backbone interact. energy: -3.334
local terms energy: -268.881541
where:
bonds (distance) C4'-P energy: -51.692
bonds (distance) P-C4' energy: -56.494
flat angles C4'-P-C4' energy: -58.350
flat angles P-C4'-P energy: -41.628
tors. eta vs tors. theta energy: -60.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -879.917323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.917323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.917323 (E_RNA)
where:
Base-Base interactions energy: -609.396
where: short stacking energy: -239.457
Base-Backbone interact. energy: -1.139
local terms energy: -269.382377
where:
bonds (distance) C4'-P energy: -44.688
bonds (distance) P-C4' energy: -49.489
flat angles C4'-P-C4' energy: -56.486
flat angles P-C4'-P energy: -44.470
tors. eta vs tors. theta energy: -74.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -780.811103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.811103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.811103 (E_RNA)
where:
Base-Base interactions energy: -523.365
where: short stacking energy: -230.519
Base-Backbone interact. energy: -1.523
local terms energy: -255.922863
where:
bonds (distance) C4'-P energy: -50.651
bonds (distance) P-C4' energy: -48.226
flat angles C4'-P-C4' energy: -53.537
flat angles P-C4'-P energy: -38.784
tors. eta vs tors. theta energy: -64.724
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: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -741.490646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.490646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.490646 (E_RNA)
where:
Base-Base interactions energy: -503.970
where: short stacking energy: -206.734
Base-Backbone interact. energy: 0.115
local terms energy: -237.635722
where:
bonds (distance) C4'-P energy: -48.141
bonds (distance) P-C4' energy: -47.418
flat angles C4'-P-C4' energy: -47.861
flat angles P-C4'-P energy: -33.238
tors. eta vs tors. theta energy: -60.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -583.991671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.991671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.991671 (E_RNA)
where:
Base-Base interactions energy: -368.746
where: short stacking energy: -153.446
Base-Backbone interact. energy: -1.638
local terms energy: -213.607566
where:
bonds (distance) C4'-P energy: -50.403
bonds (distance) P-C4' energy: -53.591
flat angles C4'-P-C4' energy: -40.225
flat angles P-C4'-P energy: -36.679
tors. eta vs tors. theta energy: -32.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -424.409814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.409814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.409814 (E_RNA)
where:
Base-Base interactions energy: -259.566
where: short stacking energy: -120.539
Base-Backbone interact. energy: -1.383
local terms energy: -163.461147
where:
bonds (distance) C4'-P energy: -37.106
bonds (distance) P-C4' energy: -43.338
flat angles C4'-P-C4' energy: -50.871
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: -14.414
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: 9
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -323.504193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.504193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.504193 (E_RNA)
where:
Base-Base interactions energy: -160.380
where: short stacking energy: -98.571
Base-Backbone interact. energy: -2.107
local terms energy: -161.017077
where:
bonds (distance) C4'-P energy: -36.249
bonds (distance) P-C4' energy: -47.295
flat angles C4'-P-C4' energy: -39.373
flat angles P-C4'-P energy: -26.738
tors. eta vs tors. theta energy: -11.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -213.870085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.870085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.870085 (E_RNA)
where:
Base-Base interactions energy: -51.721
where: short stacking energy: -37.266
Base-Backbone interact. energy: 0.887
local terms energy: -163.036262
where:
bonds (distance) C4'-P energy: -46.913
bonds (distance) P-C4' energy: -56.261
flat angles C4'-P-C4' energy: -49.335
flat angles P-C4'-P energy: -21.873
tors. eta vs tors. theta energy: 11.346
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: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -965.129750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.129750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.129750 (E_RNA)
where:
Base-Base interactions energy: -668.253
where: short stacking energy: -285.782
Base-Backbone interact. energy: 0.457
local terms energy: -297.333132
where:
bonds (distance) C4'-P energy: -48.604
bonds (distance) P-C4' energy: -57.761
flat angles C4'-P-C4' energy: -64.631
flat angles P-C4'-P energy: -46.543
tors. eta vs tors. theta energy: -79.793
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: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -940.189297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.189297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.189297 (E_RNA)
where:
Base-Base interactions energy: -653.865
where: short stacking energy: -274.789
Base-Backbone interact. energy: 1.620
local terms energy: -287.944148
where:
bonds (distance) C4'-P energy: -53.291
bonds (distance) P-C4' energy: -44.798
flat angles C4'-P-C4' energy: -56.654
flat angles P-C4'-P energy: -44.673
tors. eta vs tors. theta energy: -88.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -853.148910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.148910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.148910 (E_RNA)
where:
Base-Base interactions energy: -578.341
where: short stacking energy: -243.795
Base-Backbone interact. energy: -3.004
local terms energy: -271.804365
where:
bonds (distance) C4'-P energy: -44.181
bonds (distance) P-C4' energy: -59.214
flat angles C4'-P-C4' energy: -57.822
flat angles P-C4'-P energy: -40.201
tors. eta vs tors. theta energy: -70.387
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: 1
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -856.828346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.828346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.828346 (E_RNA)
where:
Base-Base interactions energy: -609.897
where: short stacking energy: -247.973
Base-Backbone interact. energy: 0.816
local terms energy: -247.747737
where:
bonds (distance) C4'-P energy: -33.457
bonds (distance) P-C4' energy: -46.512
flat angles C4'-P-C4' energy: -59.835
flat angles P-C4'-P energy: -34.178
tors. eta vs tors. theta energy: -73.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -765.864120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.864120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.864120 (E_RNA)
where:
Base-Base interactions energy: -512.244
where: short stacking energy: -222.720
Base-Backbone interact. energy: 0.722
local terms energy: -254.341956
where:
bonds (distance) C4'-P energy: -55.860
bonds (distance) P-C4' energy: -43.398
flat angles C4'-P-C4' energy: -59.805
flat angles P-C4'-P energy: -37.478
tors. eta vs tors. theta energy: -57.801
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: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -703.263918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.263918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.263918 (E_RNA)
where:
Base-Base interactions energy: -468.274
where: short stacking energy: -202.053
Base-Backbone interact. energy: -1.907
local terms energy: -233.082129
where:
bonds (distance) C4'-P energy: -47.718
bonds (distance) P-C4' energy: -48.152
flat angles C4'-P-C4' energy: -48.962
flat angles P-C4'-P energy: -36.371
tors. eta vs tors. theta energy: -51.879
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: 7, replica: 7
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -495.534891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.534891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.534891 (E_RNA)
where:
Base-Base interactions energy: -311.115
where: short stacking energy: -145.644
Base-Backbone interact. energy: 4.512
local terms energy: -188.932664
where:
bonds (distance) C4'-P energy: -41.840
bonds (distance) P-C4' energy: -39.205
flat angles C4'-P-C4' energy: -49.955
flat angles P-C4'-P energy: -35.151
tors. eta vs tors. theta energy: -22.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -466.124488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.124488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.124488 (E_RNA)
where:
Base-Base interactions energy: -287.460
where: short stacking energy: -154.264
Base-Backbone interact. energy: -0.021
local terms energy: -178.643090
where:
bonds (distance) C4'-P energy: -43.863
bonds (distance) P-C4' energy: -41.357
flat angles C4'-P-C4' energy: -34.861
flat angles P-C4'-P energy: -30.448
tors. eta vs tors. theta energy: -28.115
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: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -291.349346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.349346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.349346 (E_RNA)
where:
Base-Base interactions energy: -137.056
where: short stacking energy: -92.686
Base-Backbone interact. energy: 3.347
local terms energy: -157.640015
where:
bonds (distance) C4'-P energy: -45.661
bonds (distance) P-C4' energy: -40.753
flat angles C4'-P-C4' energy: -48.871
flat angles P-C4'-P energy: -17.360
tors. eta vs tors. theta energy: -4.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -212.773752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.773752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.773752 (E_RNA)
where:
Base-Base interactions energy: -62.153
where: short stacking energy: -46.458
Base-Backbone interact. energy: -1.025
local terms energy: -149.595295
where:
bonds (distance) C4'-P energy: -43.443
bonds (distance) P-C4' energy: -56.176
flat angles C4'-P-C4' energy: -29.813
flat angles P-C4'-P energy: -31.441
tors. eta vs tors. theta energy: 11.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -961.922959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.922959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.922959 (E_RNA)
where:
Base-Base interactions energy: -671.226
where: short stacking energy: -289.259
Base-Backbone interact. energy: -2.630
local terms energy: -288.066686
where:
bonds (distance) C4'-P energy: -50.115
bonds (distance) P-C4' energy: -50.168
flat angles C4'-P-C4' energy: -59.090
flat angles P-C4'-P energy: -40.028
tors. eta vs tors. theta energy: -88.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -939.669023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.669023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.669023 (E_RNA)
where:
Base-Base interactions energy: -660.627
where: short stacking energy: -273.268
Base-Backbone interact. energy: -2.489
local terms energy: -276.553463
where:
bonds (distance) C4'-P energy: -44.714
bonds (distance) P-C4' energy: -57.161
flat angles C4'-P-C4' energy: -62.256
flat angles P-C4'-P energy: -31.118
tors. eta vs tors. theta energy: -81.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -864.839034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.839034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.839034 (E_RNA)
where:
Base-Base interactions energy: -605.513
where: short stacking energy: -239.854
Base-Backbone interact. energy: -2.253
local terms energy: -257.072562
where:
bonds (distance) C4'-P energy: -54.694
bonds (distance) P-C4' energy: -52.676
flat angles C4'-P-C4' energy: -58.387
flat angles P-C4'-P energy: -29.630
tors. eta vs tors. theta energy: -61.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -855.960936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.960936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.960936 (E_RNA)
where:
Base-Base interactions energy: -603.561
where: short stacking energy: -229.815
Base-Backbone interact. energy: 0.939
local terms energy: -253.338861
where:
bonds (distance) C4'-P energy: -49.311
bonds (distance) P-C4' energy: -49.337
flat angles C4'-P-C4' energy: -58.990
flat angles P-C4'-P energy: -32.210
tors. eta vs tors. theta energy: -63.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -787.499155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.499155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.499155 (E_RNA)
where:
Base-Base interactions energy: -538.718
where: short stacking energy: -238.364
Base-Backbone interact. energy: 0.318
local terms energy: -249.098828
where:
bonds (distance) C4'-P energy: -46.968
bonds (distance) P-C4' energy: -53.951
flat angles C4'-P-C4' energy: -44.687
flat angles P-C4'-P energy: -36.013
tors. eta vs tors. theta energy: -67.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -697.342712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.342712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.342712 (E_RNA)
where:
Base-Base interactions energy: -463.800
where: short stacking energy: -200.631
Base-Backbone interact. energy: -0.656
local terms energy: -232.885981
where:
bonds (distance) C4'-P energy: -38.283
bonds (distance) P-C4' energy: -42.778
flat angles C4'-P-C4' energy: -53.249
flat angles P-C4'-P energy: -38.394
tors. eta vs tors. theta energy: -60.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -519.780167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.780167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.780167 (E_RNA)
where:
Base-Base interactions energy: -334.620
where: short stacking energy: -161.858
Base-Backbone interact. energy: 2.225
local terms energy: -187.385242
where:
bonds (distance) C4'-P energy: -46.495
bonds (distance) P-C4' energy: -42.717
flat angles C4'-P-C4' energy: -39.724
flat angles P-C4'-P energy: -27.526
tors. eta vs tors. theta energy: -30.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -493.384052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.384052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.384052 (E_RNA)
where:
Base-Base interactions energy: -279.942
where: short stacking energy: -156.132
Base-Backbone interact. energy: -0.901
local terms energy: -212.541238
where:
bonds (distance) C4'-P energy: -46.476
bonds (distance) P-C4' energy: -48.786
flat angles C4'-P-C4' energy: -54.688
flat angles P-C4'-P energy: -30.894
tors. eta vs tors. theta energy: -31.697
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: 458
Temperature: 1.300000
Total energy: -297.314325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.314325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.314325 (E_RNA)
where:
Base-Base interactions energy: -153.856
where: short stacking energy: -100.908
Base-Backbone interact. energy: 0.918
local terms energy: -144.376559
where:
bonds (distance) C4'-P energy: -44.969
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -28.729
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -6.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -220.621140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.621140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.621140 (E_RNA)
where:
Base-Base interactions energy: -79.659
where: short stacking energy: -68.624
Base-Backbone interact. energy: -0.161
local terms energy: -140.800824
where:
bonds (distance) C4'-P energy: -41.379
bonds (distance) P-C4' energy: -51.136
flat angles C4'-P-C4' energy: -46.605
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: 6.086
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: 459
Temperature: 0.900000
Total energy: -931.797532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.797532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.797532 (E_RNA)
where:
Base-Base interactions energy: -653.665
where: short stacking energy: -279.705
Base-Backbone interact. energy: -3.298
local terms energy: -274.834491
where:
bonds (distance) C4'-P energy: -49.903
bonds (distance) P-C4' energy: -45.332
flat angles C4'-P-C4' energy: -55.669
flat angles P-C4'-P energy: -42.657
tors. eta vs tors. theta energy: -81.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -947.117622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.117622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.117622 (E_RNA)
where:
Base-Base interactions energy: -656.216
where: short stacking energy: -276.651
Base-Backbone interact. energy: 1.737
local terms energy: -292.638878
where:
bonds (distance) C4'-P energy: -53.729
bonds (distance) P-C4' energy: -52.691
flat angles C4'-P-C4' energy: -63.202
flat angles P-C4'-P energy: -44.819
tors. eta vs tors. theta energy: -78.198
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: 459
Temperature: 1.000000
Total energy: -863.977726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.977726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.977726 (E_RNA)
where:
Base-Base interactions energy: -619.464
where: short stacking energy: -240.801
Base-Backbone interact. energy: 1.032
local terms energy: -245.545538
where:
bonds (distance) C4'-P energy: -49.584
bonds (distance) P-C4' energy: -55.418
flat angles C4'-P-C4' energy: -49.069
flat angles P-C4'-P energy: -33.349
tors. eta vs tors. theta energy: -58.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -798.378749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.378749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.378749 (E_RNA)
where:
Base-Base interactions energy: -540.516
where: short stacking energy: -236.604
Base-Backbone interact. energy: -0.656
local terms energy: -257.206836
where:
bonds (distance) C4'-P energy: -48.196
bonds (distance) P-C4' energy: -58.514
flat angles C4'-P-C4' energy: -51.578
flat angles P-C4'-P energy: -34.174
tors. eta vs tors. theta energy: -64.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -853.510456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.510456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.510456 (E_RNA)
where:
Base-Base interactions energy: -591.236
where: short stacking energy: -251.516
Base-Backbone interact. energy: 0.989
local terms energy: -263.263904
where:
bonds (distance) C4'-P energy: -38.269
bonds (distance) P-C4' energy: -51.578
flat angles C4'-P-C4' energy: -54.950
flat angles P-C4'-P energy: -39.495
tors. eta vs tors. theta energy: -78.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -740.346131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.346131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.346131 (E_RNA)
where:
Base-Base interactions energy: -518.247
where: short stacking energy: -228.390
Base-Backbone interact. energy: -1.105
local terms energy: -220.994226
where:
bonds (distance) C4'-P energy: -38.717
bonds (distance) P-C4' energy: -41.389
flat angles C4'-P-C4' energy: -50.991
flat angles P-C4'-P energy: -30.851
tors. eta vs tors. theta energy: -59.046
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: 459
Temperature: 1.200000
Total energy: -533.321499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.321499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.321499 (E_RNA)
where:
Base-Base interactions energy: -341.935
where: short stacking energy: -149.671
Base-Backbone interact. energy: 0.313
local terms energy: -191.699248
where:
bonds (distance) C4'-P energy: -49.100
bonds (distance) P-C4' energy: -42.157
flat angles C4'-P-C4' energy: -45.639
flat angles P-C4'-P energy: -28.111
tors. eta vs tors. theta energy: -26.691
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: 4
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -487.846743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.846743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.846743 (E_RNA)
where:
Base-Base interactions energy: -286.363
where: short stacking energy: -140.673
Base-Backbone interact. energy: -0.651
local terms energy: -200.832530
where:
bonds (distance) C4'-P energy: -41.326
bonds (distance) P-C4' energy: -54.405
flat angles C4'-P-C4' energy: -43.514
flat angles P-C4'-P energy: -26.881
tors. eta vs tors. theta energy: -34.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -293.643692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.643692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.643692 (E_RNA)
where:
Base-Base interactions energy: -148.996
where: short stacking energy: -94.074
Base-Backbone interact. energy: -0.369
local terms energy: -144.278649
where:
bonds (distance) C4'-P energy: -38.183
bonds (distance) P-C4' energy: -52.073
flat angles C4'-P-C4' energy: -27.546
flat angles P-C4'-P energy: -28.060
tors. eta vs tors. theta energy: 1.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -245.164471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.164471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.164471 (E_RNA)
where:
Base-Base interactions energy: -86.538
where: short stacking energy: -67.779
Base-Backbone interact. energy: 1.515
local terms energy: -160.141370
where:
bonds (distance) C4'-P energy: -53.070
bonds (distance) P-C4' energy: -56.266
flat angles C4'-P-C4' energy: -36.107
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -4.564
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)
out arg RESULTS//1/Denv4_dominio3_RNAco-35d4ec87_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -943.720196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.720196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.720196 (E_RNA)
where:
Base-Base interactions energy: -671.399
where: short stacking energy: -268.240
Base-Backbone interact. energy: -2.159
local terms energy: -270.162490
where:
bonds (distance) C4'-P energy: -47.501
bonds (distance) P-C4' energy: -40.395
flat angles C4'-P-C4' energy: -60.732
flat angles P-C4'-P energy: -39.517
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: 2, replica: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -931.285517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.285517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.285517 (E_RNA)
where:
Base-Base interactions energy: -653.279
where: short stacking energy: -254.105
Base-Backbone interact. energy: -1.765
local terms energy: -276.241573
where:
bonds (distance) C4'-P energy: -47.846
bonds (distance) P-C4' energy: -49.412
flat angles C4'-P-C4' energy: -58.157
flat angles P-C4'-P energy: -36.422
tors. eta vs tors. theta energy: -84.405
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: 3, replica: 10
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -809.076477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.076477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.076477 (E_RNA)
where:
Base-Base interactions energy: -533.487
where: short stacking energy: -236.150
Base-Backbone interact. energy: -0.484
local terms energy: -275.105680
where:
bonds (distance) C4'-P energy: -50.398
bonds (distance) P-C4' energy: -53.221
flat angles C4'-P-C4' energy: -62.420
flat angles P-C4'-P energy: -42.569
tors. eta vs tors. theta energy: -66.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -845.315355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.315355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.315355 (E_RNA)
where:
Base-Base interactions energy: -599.404
where: short stacking energy: -229.048
Base-Backbone interact. energy: -2.061
local terms energy: -243.850386
where:
bonds (distance) C4'-P energy: -47.017
bonds (distance) P-C4' energy: -54.576
flat angles C4'-P-C4' energy: -52.990
flat angles P-C4'-P energy: -24.374
tors. eta vs tors. theta energy: -64.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -845.151677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.151677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.151677 (E_RNA)
where:
Base-Base interactions energy: -587.086
where: short stacking energy: -246.100
Base-Backbone interact. energy: -1.300
local terms energy: -256.766236
where:
bonds (distance) C4'-P energy: -51.331
bonds (distance) P-C4' energy: -42.031
flat angles C4'-P-C4' energy: -52.348
flat angles P-C4'-P energy: -39.059
tors. eta vs tors. theta energy: -71.997
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: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -763.986339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.986339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.986339 (E_RNA)
where:
Base-Base interactions energy: -525.821
where: short stacking energy: -214.611
Base-Backbone interact. energy: 3.107
local terms energy: -241.272662
where:
bonds (distance) C4'-P energy: -35.832
bonds (distance) P-C4' energy: -50.634
flat angles C4'-P-C4' energy: -55.878
flat angles P-C4'-P energy: -36.704
tors. eta vs tors. theta energy: -62.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -492.267424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.267424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.267424 (E_RNA)
where:
Base-Base interactions energy: -305.227
where: short stacking energy: -146.875
Base-Backbone interact. energy: -2.510
local terms energy: -184.530498
where:
bonds (distance) C4'-P energy: -40.312
bonds (distance) P-C4' energy: -50.210
flat angles C4'-P-C4' energy: -44.553
flat angles P-C4'-P energy: -23.625
tors. eta vs tors. theta energy: -25.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -461.956364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.956364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.956364 (E_RNA)
where:
Base-Base interactions energy: -281.151
where: short stacking energy: -137.958
Base-Backbone interact. energy: 0.351
local terms energy: -181.156297
where:
bonds (distance) C4'-P energy: -41.263
bonds (distance) P-C4' energy: -52.371
flat angles C4'-P-C4' energy: -43.045
flat angles P-C4'-P energy: -24.029
tors. eta vs tors. theta energy: -20.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -306.492191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.492191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.492191 (E_RNA)
where:
Base-Base interactions energy: -149.448
where: short stacking energy: -102.775
Base-Backbone interact. energy: -0.475
local terms energy: -156.568873
where:
bonds (distance) C4'-P energy: -39.526
bonds (distance) P-C4' energy: -43.110
flat angles C4'-P-C4' energy: -38.255
flat angles P-C4'-P energy: -22.798
tors. eta vs tors. theta energy: -12.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -246.838557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.838557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.838557 (E_RNA)
where:
Base-Base interactions energy: -111.914
where: short stacking energy: -82.330
Base-Backbone interact. energy: -0.601
local terms energy: -134.323652
where:
bonds (distance) C4'-P energy: -35.109
bonds (distance) P-C4' energy: -36.778
flat angles C4'-P-C4' energy: -33.006
flat angles P-C4'-P energy: -20.474
tors. eta vs tors. theta energy: -8.956
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)